3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)NCCO)CN(CCO)CCO)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)NCCO)CN(CCO)CCO)[O-]

InChI

InChI=1S/C16H22N4O6/c21-8-5-17-16(24)15-14(11-18(6-9-22)7-10-23)19(25)12-3-1-2-4-13(12)20(15)26/h1-4,21-23H,5-11H2,(H,17,24)