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

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride Openeye Name: 2-piperidin-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-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-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-piperidin-1-ium-1-ylethyl ester chloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)CC2C=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)CC2C=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H23NO2.ClH/c18-16(14-15-8-4-1-2-5-9-15)19-13-12-17-10-6-3-7-11-17;/h1-2,4-5,8-9,15H,3,6-7,10-14H2;1H