sodium 4-[(2-methylphenyl)amino]-1-[(2-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: sodium 4-[(2-methylphenyl)amino]-1-[(2-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: sodium 4-(2-methylanilino)-1-(o-tolylmethyl)piperidine-4-carboxylate CAS Name: sodium 4-(2-methylanilino)-1-[(2-methylphenyl)methyl]-4-piperidinecarboxylate IUPAC Name: sodium 4-(2-methylanilino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: sodium 1-(2-methylbenzyl)-4-(o-toluidino)isonipecotate Formula: C21H25N2NaO2 MolecularWeight: 360.42517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)(C(=O)[O-])NC3=CC=CC=C3C.[Na+]

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)(C(=O)[O-])NC3=CC=CC=C3C.[Na+]

InChI

InChI=1S/C21H26N2O2.Na/c1-16-7-3-5-9-18(16)15-23-13-11-21(12-14-23,20(24)25)22-19-10-6-4-8-17(19)2;/h3-10,22H,11-15H2,1-2H3,(H,24,25);/q;+1/p-1