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Chemical ID: 4584346

CC[N+](CC)(CC)CCOc1ccc-2c(c1)C(=O)c3c2ccc(c3)OCC[N+](CC)(CC)CC

Chemical ID:

4584346

Name [?]:

triethyl-[2-[9-oxo-7-(2-triethylammonioethoxy)fluoren-2-yl]oxyethyl]ammonium

SMILES [?]:

CC[N+](CC)(CC)CCOc1ccc-2c(c1)C(=O)c3c2ccc(c3)OCC[N+](CC)(CC)CC

InChi [?]:

InChI=1/C29H44N2O3/c1-7-30(8-2,9-3)17-19-33-23-13-15-25-26-16-14-24(22-28(26)29(32)27(25)21-23)34-20-18-31(10-4,11-5)12-6/h13-16,21-22H,7-12,17-20H2,1-6H3/q+2

InChi Info:

AuxInfo=1/0/N:1,5,7,30,32,34,2,4,6,29,31,33,12,22,13,21,8,27,9,26,16,24,11,23,14,20,15,19,17,3,28,18,10,25/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(30,31)(33,34)/CRV:30+1,31+1/rA:34nCCN+CCCCCCOCCCCCCCOCCCCCCOCCN+CCCCCC/rB:s1;s2;s3;s4;s3;s6;s3;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s14s19;d20;s21;d22;d19s23;s23;s25;s26;s27;s28;s29;s28;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₄₄N₂O₃₊₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	-47.3112
Area:	720.697
Solvation:	-65.3286
Coulombic:	32.5316

Bond Count [?]

All:	36
Single:	29
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	468.671
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.02
LogP (Chemaxon):	-4.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value