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3-(azepan-1-ium-1-yl)propyl 2,2,2-triphenylethanoate chloride

3-(azepan-1-ium-1-yl)propyl 2,2,2-triphenylethanoate chloride

Systemtic Name:3-(azepan-1-ium-1-yl)propyl 2,2,2-triphenylethanoate chloride
Openeye Name:3-(azepan-1-ium-1-yl)propyl 2,2,2-triphenylacetate chloride
CAS Name:2,2,2-triphenylacetic acid 3-(1-azepan-1-iumyl)propyl ester chloride
IUPAC Name:3-(azepan-1-ium-1-yl)propyl 2,2,2-triphenylacetate chloride
Traditional Name:2,2,2-triphenylacetic acid 3-(azepan-1-ium-1-yl)propyl ester chloride
Formula: C29H34ClNO2
MolecularWeight: 464.03876
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]


Isomeric SMILES

C1CCC[NH+](CC1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]


InChI

InChI=1S/C29H33NO2.ClH/c31-28(32-24-14-23-30-21-12-1-2-13-22-30)29(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27;/h3-11,15-20H,1-2,12-14,21-24H2;1H


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