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

Systemtic Name: propyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: propyl 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 propyl ester chloride IUPAC Name: propyl 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 propyl ester chloride Formula: C21H32ClNO2 MolecularWeight: 365.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32NO2.ClH/c1-3-16-24-21(23)18-22(13-8-5-9-14-22)15-12-19(2)17-20-10-6-4-7-11-20;/h4,6-7,10-12H,3,5,8-9,13-18H2,1-2H3;1H/q+1;/p-1/b19-12-;