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

Systemtic Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid (4-methylcyclohexyl) ester Formula: C25H38NO2+ MolecularWeight: 384.57472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)C[N+]2(CCCCC2)CC=C(C)CC3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)OC(=O)C[N+]2(CCCCC2)C/C=C(/C)\CC3=CC=CC=C3

InChI

InChI=1S/C25H38NO2/c1-21-11-13-24(14-12-21)28-25(27)20-26(16-7-4-8-17-26)18-15-22(2)19-23-9-5-3-6-10-23/h3,5-6,9-10,15,21,24H,4,7-8,11-14,16-20H2,1-2H3/q+1/b22-15-