ethyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[1-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetic acid ethyl ester Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=C(C=C2)C

InChI

InChI=1S/C21H32NO2/c1-4-24-21(23)17-22(13-6-5-7-14-22)15-12-19(3)16-20-10-8-18(2)9-11-20/h8-12H,4-7,13-17H2,1-3H3/q+1/b19-12-