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

Systemtic Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-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]amine Formula: C14H27N8O2S+ MolecularWeight: 371.48158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H26N8O2S/c15-13-17-12(18-14(16)19-13)11-20-7-9-22(10-8-20)25(23,24)21-5-3-1-2-4-6-21/h1-11H2,(H4,15,16,17,18,19)/p+1