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

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]-s-triazin-2-yl]amine Formula: C16H24N7O2S+ MolecularWeight: 378.47246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H23N7O2S/c1-12-3-5-13(6-4-12)26(24,25)23-8-2-7-22(9-10-23)11-14-19-15(17)21-16(18)20-14/h3-6H,2,7-11H2,1H3,(H4,17,18,19,20,21)/p+1