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

Systemtic Name: hexyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: hexyl 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 hexyl ester chloride IUPAC Name: hexyl 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 hexyl ester chloride Formula: C24H38ClNO2 MolecularWeight: 408.01702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C24H38NO2.ClH/c1-3-4-5-12-19-27-24(26)21-25(16-10-7-11-17-25)18-15-22(2)20-23-13-8-6-9-14-23;/h6,8-9,13-15H,3-5,7,10-12,16-21H2,1-2H3;1H/q+1;/p-1/b22-15-;