N2-(2-methylphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C20H25N8+ MolecularWeight: 377.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N8/c1-15-6-2-3-7-16(15)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)/p+1