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

Systemtic Name: N2-(3-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(m-tolyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-methylphenyl)-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(m-tolyl)amine Formula: C21H26N7+ MolecularWeight: 376.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N7/c1-16-6-5-7-17(14-16)23-21-25-19(24-20(22)26-21)15-27-10-12-28(13-11-27)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H3,22,23,24,25,26)/p+1