N2-(3-methylphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(3-methylphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-N2-(m-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-methylphenyl)-6-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-methylphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-(m-tolyl)amine Formula: C16H25N7+2 MolecularWeight: 315.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C16H23N7/c1-12-4-3-5-13(10-12)18-16-20-14(19-15(17)21-16)11-23-8-6-22(2)7-9-23/h3-5,10H,6-9,11H2,1-2H3,(H3,17,18,19,20,21)/p+2