sodium 3-[(1-oxidanylidene-3-phenyl-1-piperidin-1-yl-propan-2-yl)carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[(1-oxidanylidene-3-phenyl-1-piperidin-1-yl-propan-2-yl)carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(1-piperidyl)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(1-piperidinyl)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[(1-benzyl-2-keto-2-piperidino-ethyl)carbamoyl]ethylenimine-2-carboxylic acid Formula: C18H23N3NaO4+ MolecularWeight: 368.38269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C18H23N3O4.Na/c22-16(14-15(20-14)18(24)25)19-13(11-12-7-3-1-4-8-12)17(23)21-9-5-2-6-10-21;/h1,3-4,7-8,13-15,20H,2,5-6,9-11H2,(H,19,22)(H,24,25);/q;+1