2-methyl-4-[(4-nitrophenyl)-pyridin-1-ium-1-yl-methyl]-1,2,4-triazol-4-ium-3-amine

Systemtic Name: 2-methyl-4-[(4-nitrophenyl)-pyridin-1-ium-1-yl-methyl]-1,2,4-triazol-4-ium-3-amine Openeye Name: 2-methyl-4-[(4-nitrophenyl)-pyridin-1-ium-1-yl-methyl]-1,2,4-triazol-4-ium-3-amine CAS Name: 2-methyl-4-[(4-nitrophenyl)-(1-pyridin-1-iumyl)methyl]-1,2,4-triazol-4-ium-3-amine IUPAC Name: 2-methyl-4-[(4-nitrophenyl)-pyridin-1-ium-1-ylmethyl]-1,2,4-triazol-4-ium-3-amine Traditional Name: [2-methyl-4-[(4-nitrophenyl)-pyridin-1-ium-1-yl-methyl]-1,2,4-triazol-4-ium-3-yl]amine Formula: C15H16N6O2+2 MolecularWeight: 312.32654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C=N1)C(C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3)N

Isomeric SMILES

CN1C(=[N+](C=N1)C(C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3)N

InChI

InChI=1S/C15H15N6O2/c1-18-15(16)20(11-17-18)14(19-9-3-2-4-10-19)12-5-7-13(8-6-12)21(22)23/h2-11,14,16H,1H3/q+1/p+1