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Chemical ID: 5144251

C[N+](C)(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O

Chemical ID:

5144251

Name [?]:

2-[2-(1-hydroxycyclopentyl)-2-phenyl-acetyl]oxyethyl-trimethyl-ammonium

SMILES [?]:

C[N+](C)(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O

InChi [?]:

InChI=1/C18H28NO3/c1-19(2,3)13-14-22-17(20)16(15-9-5-4-6-10-15)18(21)11-7-8-12-18/h4-6,9-10,16,21H,7-8,11-14H2,1-3H3/q+1

InChi Info:

AuxInfo=1/0/N:1,3,4,14,13,15,19,20,12,16,18,21,5,6,11,10,8,17,2,9,22,7/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/CRV:19+1/rA:22cCN+CCCCOCOCCCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;s18;s19;s17s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₈NO₃₊
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	-18.9669
Area:	494.879
Solvation:	-31.3389
Coulombic:	-12.3003

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	306.42
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.11
LogP (Chemaxon):	-2.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value