sodium; 4-azanyl-1-(methylamino)-5-phenyl-2-pyridin-2-yl-pentan-3-one; aziridine-2-carboxylic acid; methanal

Systemtic Name: sodium; 4-azanyl-1-(methylamino)-5-phenyl-2-pyridin-2-yl-pentan-3-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 4-amino-1-(methylamino)-5-phenyl-2-(2-pyridyl)pentan-3-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 4-amino-1-(methylamino)-5-phenyl-2-(2-pyridinyl)-3-pentanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 4-amino-1-(methylamino)-5-phenyl-2-pyridin-2-ylpentan-3-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 4-amino-1-(methylamino)-5-phenyl-2-(2-pyridyl)pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C21H28N4NaO4+ MolecularWeight: 423.46119

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C1=CC=CC=N1)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

CNCC(C1=CC=CC=N1)C(=O)C(CC2=CC=CC=C2)N.C=O.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C17H21N3O.C3H5NO2.CH2O.Na/c1-19-12-14(16-9-5-6-10-20-16)17(21)15(18)11-13-7-3-2-4-8-13;5-3(6)2-1-4-2;1-2;/h2-10,14-15,19H,11-12,18H2,1H3;2,4H,1H2,(H,5,6);1H2;/q;;;+1