6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[2-(2-methyl-3H-benzimidazol-1-ium-1-yl)ethyl]-s-triazin-2-yl]amine Formula: C13H16N7+ MolecularWeight: 270.31304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1)CCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1)CCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H15N7/c1-8-16-9-4-2-3-5-10(9)20(8)7-6-11-17-12(14)19-13(15)18-11/h2-5H,6-7H2,1H3,(H4,14,15,17,18,19)/p+1