1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine

Systemtic Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine Openeye Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine CAS Name: 1-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]-4-pyridin-1-iumamine IUPAC Name: 1-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]pyridin-1-ium-4-amine Traditional Name: [1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-yl]amine Formula: C16H16N5O4+ MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C[N+]3=CC=C(C=C3)N)N=C1OC

Isomeric SMILES

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C[N+]3=CC=C(C=C3)N)N=C1OC

InChI

InChI=1S/C16H15N5O4/c1-24-15-16(25-2)19-14-10(9-20-5-3-11(17)4-6-20)7-12(21(22)23)8-13(14)18-15/h3-8,17H,9H2,1-2H3/p+1