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

Systemtic Name: 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO

Isomeric SMILES

CC(C)(C)NCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO

InChI

InChI=1S/C16H22N4O4/c1-16(2,3)18-10-13-14(15(22)17-8-9-21)20(24)12-7-5-4-6-11(12)19(13)23/h4-7,18,21H,8-10H2,1-3H3,(H,17,22)