ethyl 1-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(p-tolylmethyl)piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-methylbenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H32N2O3/c1-3-27-22(26)20-10-14-24(15-11-20)21(25)19-8-12-23(13-9-19)16-18-6-4-17(2)5-7-18/h4-7,19-20H,3,8-16H2,1-2H3/p+1