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

Systemtic Name: methyl 1-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H30N2O3/c1-16-3-5-17(6-4-16)15-22-11-7-18(8-12-22)20(24)23-13-9-19(10-14-23)21(25)26-2/h3-6,18-19H,7-15H2,1-2H3/p+1