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

Systemtic Name: 2-[[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Openeye Name: 2-[[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium CAS Name: 2-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium IUPAC Name: 2-[[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Traditional Name: 2-[[4-(4-mesyl-2-nitro-phenyl)piperazino]methyl]-1H-imidazo[1,2-a]pyridin-4-ium Formula: C19H22N5O4S+ MolecularWeight: 416.47408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S/c1-29(27,28)16-5-6-17(18(12-16)24(25)26)22-10-8-21(9-11-22)13-15-14-23-7-3-2-4-19(23)20-15/h2-7,12,14H,8-11,13H2,1H3/p+1