sodium [(4-methylphenyl)amino] 1-phenethylpiperidine-4-carboxylate

Systemtic Name: sodium [(4-methylphenyl)amino] 1-phenethylpiperidine-4-carboxylate Openeye Name: sodium (4-methylanilino) 1-phenethylpiperidine-4-carboxylate CAS Name: sodium 1-phenethyl-4-piperidinecarboxylic acid (4-methylanilino) ester IUPAC Name: sodium (4-methylanilino) 1-phenethylpiperidine-4-carboxylate Traditional Name: sodium 1-phenethylisonipecotic acid p-toluidino ester Formula: C21H26N2NaO2+ MolecularWeight: 361.43311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NOC(=O)C2CCN(CC2)CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NOC(=O)C2CCN(CC2)CCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H26N2O2.Na/c1-17-7-9-20(10-8-17)22-25-21(24)19-12-15-23(16-13-19)14-11-18-5-3-2-4-6-18;/h2-10,19,22H,11-16H2,1H3;/q;+1