sodium 4-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: sodium 4-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: sodium 4-anilino-1-benzyl-piperidine-4-carboxylic acid CAS Name: sodium 4-anilino-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: sodium 4-anilino-1-benzylpiperidine-4-carboxylic acid Traditional Name: sodium 4-anilino-1-benzyl-isonipecotic acid Formula: C19H22N2NaO2+ MolecularWeight: 333.37995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H22N2O2.Na/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);/q;+1