ethyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid ethyl ester Formula: C20H29ClNO2+ MolecularWeight: 350.90276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2Cl

InChI

InChI=1S/C20H29ClNO2/c1-3-24-20(23)16-22(12-7-4-8-13-22)14-11-17(2)15-18-9-5-6-10-19(18)21/h5-6,9-11H,3-4,7-8,12-16H2,1-2H3/q+1/b17-11-