2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium

Systemtic Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Openeye Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium CAS Name: 2-[[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium IUPAC Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Traditional Name: 2-[[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Formula: C22H27N6O4S+ MolecularWeight: 471.55258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C[N+]5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C[N+]5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c29-28(30)21-15-19(33(31,32)27-9-3-4-10-27)6-7-20(21)25-13-11-24(12-14-25)16-18-17-26-8-2-1-5-22(26)23-18/h1-2,5-8,15,17H,3-4,9-14,16H2/p+1