(1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-yl-propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-yl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-(1-piperidyl)propanoate CAS Name: 2-(4-chlorophenyl)-2-(1-piperidinyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-ylpropanoate Traditional Name: 2-(4-chlorophenyl)-2-piperidino-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C21H32ClN2O2+ MolecularWeight: 379.94398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCC3

InChI

InChI=1S/C21H32ClN2O2/c1-21(23-13-5-4-6-14-23,17-7-9-18(22)10-8-17)20(25)26-19-11-15-24(2,3)16-12-19/h7-10,19H,4-6,11-16H2,1-3H3/q+1