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

Systemtic Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid (4-methylcyclohexyl) ester chloride IUPAC Name: (4-methylcyclohexyl) 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid (4-methylcyclohexyl) ester chloride Formula: C25H38ClNO2 MolecularWeight: 420.02772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO2.ClH/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;1H/q+1;/p-1/b22-15-;