5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C14H17N4O4+ MolecularWeight: 305.30918

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-18(4-2-3-5-18)8-9-6-10(17(21)22)7-11-12(9)16-14(20)13(19)15-11/h6-7H,2-5,8H2,1H3,(H-,15,16,19,20)/p+1