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Chemical ID: 4863757

Chemical ID:

4863757

Name [?]:

trimethyl-[2-(1-phenylcyclopentyl)carbonyloxyethyl]ammonium

SMILES [?]:

C[N+](C)(C)CCOC(=O)C1(CCCC1)c2ccccc2

InChi [?]:

InChI=1/C17H26NO2/c1-18(2,3)13-14-20-16(19)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3/q+1

InChi Info:

AuxInfo=1/0/N:1,3,4,18,17,19,12,13,16,20,11,14,5,6,15,8,10,2,9,7/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:18+1/rA:20nCN+CCCCOCOCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s10;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₆NO₂₊
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-18.5993
Area:	486.773
Solvation:	-30.7686
Coulombic:	4.68646

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	276.394
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.07
LogP (Chemaxon):	-1.37

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