sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-5-phenyl-2-thiophen-2-yl-pentan-3-one; methanal

Systemtic Name: sodium; aziridine-2-carboxylic acid; 1,4-bis(azanyl)-5-phenyl-2-thiophen-2-yl-pentan-3-one; methanal Openeye Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-5-phenyl-2-(2-thienyl)pentan-3-one; formaldehyde CAS Name: sodium; 2-aziridinecarboxylic acid; 1,4-diamino-5-phenyl-2-thiophen-2-yl-3-pentanone; formaldehyde IUPAC Name: sodium; aziridine-2-carboxylic acid; 1,4-diamino-5-phenyl-2-thiophen-2-ylpentan-3-one; formaldehyde Traditional Name: sodium; 1,4-diamino-5-phenyl-2-(2-thienyl)pentan-3-one; ethylenimine-2-carboxylic acid; formaldehyde Formula: C19H25N3NaO4S+ MolecularWeight: 414.47427

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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)C(CN)C2=CC=CS2)N.[Na+]

Isomeric SMILES

C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C(CN)C2=CC=CS2)N.[Na+]

InChI

InChI=1S/C15H18N2OS.C3H5NO2.CH2O.Na/c16-10-12(14-7-4-8-19-14)15(18)13(17)9-11-5-2-1-3-6-11;5-3(6)2-1-4-2;1-2;/h1-8,12-13H,9-10,16-17H2;2,4H,1H2,(H,5,6);1H2;/q;;;+1