3-(4-methylphenyl)propyl 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: 3-(4-methylphenyl)propyl 2-piperidin-1-ium-1-ylethanoate Openeye Name: 3-(p-tolyl)propyl 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid 3-(4-methylphenyl)propyl ester IUPAC Name: 3-(4-methylphenyl)propyl 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid 3-(p-tolyl)propyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCOC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CCCOC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO2/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18-11-3-2-4-12-18/h7-10H,2-6,11-14H2,1H3/p+1