3-[(3-cyano-6,7-dimethyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[(3-cyano-6,7-dimethyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]propyl-dimethyl-azanium chloride Openeye Name: 3-[(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-2-quinoxalin-4-iumylidene)amino]propyl-dimethylammonium chloride IUPAC Name: 3-[(3-cyano-1-hydroxy-6,7-dimethyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]propyl-dimethylazanium chloride Traditional Name: 3-[(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]propyl-dimethyl-ammonium chloride Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(C(=NCCC[NH+](C)C)N2O)C#N)[O-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(C(=NCCC[NH+](C)C)N2O)C#N)[O-].[Cl-]

InChI

InChI=1S/C16H21N5O2.ClH/c1-11-8-13-14(9-12(11)2)21(23)16(15(10-17)20(13)22)18-6-5-7-19(3)4;/h8-9,23H,5-7H2,1-4H3;1H