6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]amine Formula: C16H24N7+ MolecularWeight: 314.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=NC(=N3)N)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=NC(=N3)N)N)C

InChI

InChI=1S/C16H23N7/c1-11-4-3-5-13(12(11)2)23-8-6-22(7-9-23)10-14-19-15(17)21-16(18)20-14/h3-5H,6-10H2,1-2H3,(H4,17,18,19,20,21)/p+1