3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[3-(1H-benzimidazol-3-ium-2-yl)propylamino]-6-methyl-2H-1,2,4-triazin-5-one Formula: C14H17N6O+ MolecularWeight: 285.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)NCCCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC1=NNC(=NC1=O)NCCCC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C14H16N6O/c1-9-13(21)18-14(20-19-9)15-8-4-7-12-16-10-5-2-3-6-11(10)17-12/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)(H2,15,18,20,21)/p+1