2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-methylimidazo[1,2-a]pyridine IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine Formula: C19H22BrN4O2S+ MolecularWeight: 450.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CN2C=C(N=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H21BrN4O2S/c1-15-5-6-19-21-17(14-23(19)12-15)13-22-7-9-24(10-8-22)27(25,26)18-4-2-3-16(20)11-18/h2-6,11-12,14H,7-10,13H2,1H3/p+1