4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(4,6-diamino-s-triazin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C12H25N8O2S+ MolecularWeight: 345.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)N)N

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H24N8O2S/c1-3-19(4-2)23(21,22)20-7-5-18(6-8-20)9-10-15-11(13)17-12(14)16-10/h3-9H2,1-2H3,(H4,13,14,15,16,17)/p+1