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

Systemtic Name: hexyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: hexyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid hexyl ester IUPAC Name: hexyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid hexyl ester Formula: C24H37ClNO2+ MolecularWeight: 407.00908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2Cl

InChI

InChI=1S/C24H37ClNO2/c1-3-4-5-11-18-28-24(27)20-26(15-9-6-10-16-26)17-14-21(2)19-22-12-7-8-13-23(22)25/h7-8,12-14H,3-6,9-11,15-20H2,1-2H3/q+1/b21-14-