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

Systemtic Name: 2-methyl-4-[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl]-1,2,4-triazol-4-ium-3-amine Openeye Name: 2-methyl-4-[p-tolyl(pyridin-1-ium-1-yl)methyl]-1,2,4-triazol-4-ium-3-amine CAS Name: 2-methyl-4-[(4-methylphenyl)-(1-pyridin-1-iumyl)methyl]-1,2,4-triazol-4-ium-3-amine IUPAC Name: 2-methyl-4-[(4-methylphenyl)-pyridin-1-ium-1-ylmethyl]-1,2,4-triazol-4-ium-3-amine Traditional Name: [2-methyl-4-[p-tolyl(pyridin-1-ium-1-yl)methyl]-1,2,4-triazol-4-ium-3-yl]amine Formula: C16H19N5+2 MolecularWeight: 281.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)[N+]3=C(N(N=C3)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)[N+]3=C(N(N=C3)C)N

InChI

InChI=1S/C16H18N5/c1-13-6-8-14(9-7-13)15(20-10-4-3-5-11-20)21-12-18-19(2)16(21)17/h3-12,15,17H,1-2H3/q+1/p+1