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

Systemtic Name: butyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: butyl 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 butyl ester chloride IUPAC Name: butyl 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 butyl ester chloride Formula: C22H34ClNO2 MolecularWeight: 379.96386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34NO2.ClH/c1-3-4-17-25-22(24)19-23(14-9-6-10-15-23)16-13-20(2)18-21-11-7-5-8-12-21;/h5,7-8,11-13H,3-4,6,9-10,14-19H2,1-2H3;1H/q+1;/p-1/b20-13-;