5-cyano-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]pentanamide

Systemtic Name: 5-cyano-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]pentanamide Openeye Name: 5-cyano-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)pentanamide CAS Name: 5-cyano-2-(3-methyl-1,4-dioxido-1-quinoxalin-1-iumyl)pentanamide IUPAC Name: 5-cyano-2-(3-methyl-1,4-dioxidoquinoxalin-1-ium-1-yl)pentanamide Traditional Name: 5-cyano-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)valeramide Formula: C15H17N4O3- MolecularWeight: 301.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CCCC#N)C(=O)N)[O-]

Isomeric SMILES

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CCCC#N)C(=O)N)[O-]

InChI

InChI=1S/C15H17N4O3/c1-11-10-19(22,14(15(17)20)8-4-5-9-16)13-7-3-2-6-12(13)18(11)21/h2-3,6-7,10,14H,4-5,8H2,1H3,(H2,17,20)/q-1