6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-dimethyl-amine Formula: C16H31N8O2S+ MolecularWeight: 399.53474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H30N8O2S/c1-21(2)16-19-14(18-15(17)20-16)13-22-9-11-24(12-10-22)27(25,26)23-7-5-3-4-6-8-23/h3-13H2,1-2H3,(H2,17,18,19,20)/p+1