methyl 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(m-tolylmethyl)piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-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(=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

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

InChI

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