4-(1,4-diazepan-4-ium-1-ylsulfonyl)piperazin-4-ium-2-one

Systemtic Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)piperazin-4-ium-2-one Openeye Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)piperazin-4-ium-2-one CAS Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-piperazin-4-iumone IUPAC Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)piperazin-4-ium-2-one Traditional Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)piperazin-4-ium-2-one Formula: C9H20N4O3S+2 MolecularWeight: 264.3451

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)[NH+]2CCNC(=O)C2

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C9H18N4O3S/c14-9-8-13(7-4-11-9)17(15,16)12-5-1-2-10-3-6-12/h10H,1-8H2,(H,11,14)/p+2