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2-pyrrolidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride

2-pyrrolidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride

Systemtic Name:2-pyrrolidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride
Openeye Name:2-pyrrolidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
CAS Name:2-(1-cyclohepta-2,4,6-trienyl)acetic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester chloride
IUPAC Name:2-pyrrolidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Traditional Name:2-cyclohepta-2,4,6-trien-1-ylacetic acid 2-pyrrolidin-1-ium-1-ylethyl ester chloride
Formula: C15H22ClNO2
MolecularWeight: 283.79368
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC(=O)CC2C=CC=CC=C2.[Cl-]


Isomeric SMILES

C1CC[NH+](C1)CCOC(=O)CC2C=CC=CC=C2.[Cl-]


InChI

InChI=1S/C15H21NO2.ClH/c17-15(13-14-7-3-1-2-4-8-14)18-12-11-16-9-5-6-10-16;/h1-4,7-8,14H,5-6,9-13H2;1H


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