sodium; 2-azanyl-1-(1-azanylpyrrol-2-yl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal

Systemtic Name: sodium; 2-azanyl-1-(1-azanylpyrrol-2-yl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 2-amino-1-(1-aminopyrrol-2-yl)-3-phenyl-propan-1-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 2-amino-1-(1-amino-2-pyrrolyl)-3-phenyl-1-propanone; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 2-amino-1-(1-aminopyrrol-2-yl)-3-phenylpropan-1-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 2-amino-1-(1-aminopyrrol-2-yl)-3-phenyl-propan-1-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C17H22N4NaO4+ MolecularWeight: 369.37075

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CN2N)N.[Na+]

Isomeric SMILES

C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CN2N)N.[Na+]

InChI

InChI=1S/C13H15N3O.C3H5NO2.CH2O.Na/c14-11(9-10-5-2-1-3-6-10)13(17)12-7-4-8-16(12)15;5-3(6)2-1-4-2;1-2;/h1-8,11H,9,14-15H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1