4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C18H21N6O4S+ MolecularWeight: 417.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=N2)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=N2)C4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4S/c19-29(27,28)15-4-5-16(17(11-15)24(25)26)22-9-7-21(8-10-22)12-14-13-23-6-2-1-3-18(23)20-14/h1-6,11,13H,7-10,12H2,(H2,19,27,28)/p+1