ethyl 4-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(1-isopropylpiperidin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C23H36ClN2O2+ MolecularWeight: 407.99714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CC[NH+](CC2)C(C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2CC[NH+](CC2)C(C)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H35ClN2O2/c1-4-28-22(27)23(17-19-5-7-20(24)8-6-19)11-15-26(16-12-23)21-9-13-25(14-10-21)18(2)3/h5-8,18,21H,4,9-17H2,1-3H3/p+1