3-nitro-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]benzenesulfonamide Formula: C16H27N5O4S+2 MolecularWeight: 385.48168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4S/c17-26(24,25)14-3-4-15(16(13-14)21(22)23)20-11-9-19(10-12-20)8-7-18-5-1-2-6-18/h3-4,13H,1-2,5-12H2,(H2,17,24,25)/p+2