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

Systemtic Name: cyclohexyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: cyclohexyl 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 cyclohexyl ester chloride IUPAC Name: cyclohexyl 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 cyclohexyl ester chloride Formula: C24H36ClNO2 MolecularWeight: 406.00114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CCCCC1)CC(=O)OC2CCCCC2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C/C(=C/C[N+]1(CCCCC1)CC(=O)OC2CCCCC2)/CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H36NO2.ClH/c1-21(19-22-11-5-2-6-12-22)15-18-25(16-9-4-10-17-25)20-24(26)27-23-13-7-3-8-14-23;/h2,5-6,11-12,15,23H,3-4,7-10,13-14,16-20H2,1H3;1H/q+1;/p-1/b21-15-;