methyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-chlorobenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid methyl ester Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H27ClN2O3/c1-26-20(25)16-8-12-23(13-9-16)19(24)15-6-10-22(11-7-15)14-17-4-2-3-5-18(17)21/h2-5,15-16H,6-14H2,1H3/p+1