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

Systemtic Name: methyl 2-[1-[(Z)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=CC[N+]2(CCCCC2)CC(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C/C(=C\C[N+]2(CCCCC2)CC(=O)OC)/C

InChI

InChI=1S/C20H30NO2/c1-17-7-9-19(10-8-17)15-18(2)11-14-21(16-20(22)23-3)12-5-4-6-13-21/h7-11H,4-6,12-16H2,1-3H3/q+1/b18-11-