N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)imino-benzotriazole-1,3-diium-1-amine

Systemtic Name: N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)imino-benzotriazole-1,3-diium-1-amine Openeye Name: N-(5-methyl-2-pyridyl)-3-[(5-methyl-2-pyridyl)imino]benzotriazole-1,3-diium-1-amine CAS Name: N-(5-methyl-2-pyridinyl)-3-[(5-methyl-2-pyridinyl)imino]-1-benzotriazole-1,3-diiumamine IUPAC Name: N-(5-methylpyridin-2-yl)-3-(5-methylpyridin-2-yl)iminobenzotriazole-1,3-diium-1-amine Traditional Name: (5-methyl-2-pyridyl)-[3-[(5-methyl-2-pyridyl)imino]benzotriazole-1,3-diium-1-yl]amine Formula: C18H17N7+2 MolecularWeight: 331.37448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N[N+]2=N[N+](=NC3=NC=C(C=C3)C)C4=CC=CC=C42

Isomeric SMILES

CC1=CN=C(C=C1)N[N+]2=N[N+](=NC3=NC=C(C=C3)C)C4=CC=CC=C42

InChI

InChI=1S/C18H17N7/c1-13-7-9-17(19-11-13)21-24-15-5-3-4-6-16(15)25(23-24)22-18-10-8-14(2)12-20-18/h3-12H,1-2H3,(H,19,20,21,22,23)/q+2