sodium; 2-(aminomethyl)-4-azanyl-5-phenyl-pent-1-en-3-one; aziridine-2-carboxylic acid; methanal

Systemtic Name: sodium; 2-(aminomethyl)-4-azanyl-5-phenyl-pent-1-en-3-one; aziridine-2-carboxylic acid; methanal Openeye Name: sodium; 4-amino-2-(aminomethyl)-5-phenyl-pent-1-en-3-one; aziridine-2-carboxylic acid; formaldehyde CAS Name: sodium; 4-amino-2-(aminomethyl)-5-phenyl-1-penten-3-one; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: sodium; 4-amino-2-(aminomethyl)-5-phenylpent-1-en-3-one; aziridine-2-carboxylic acid; formaldehyde Traditional Name: sodium; 4-amino-2-(aminomethyl)-5-phenyl-pent-1-en-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C16H23N3NaO4+ MolecularWeight: 344.36129

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1)C(=O)O.[Na+]

Isomeric SMILES

C=C(CN)C(=O)C(CC1=CC=CC=C1)N.C=O.C1C(N1)C(=O)O.[Na+]

InChI

InChI=1S/C12H16N2O.C3H5NO2.CH2O.Na/c1-9(8-13)12(15)11(14)7-10-5-3-2-4-6-10;5-3(6)2-1-4-2;1-2;/h2-6,11H,1,7-8,13-14H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1