4-chloranyl-N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide CAS Name: 4-chloro-N-[1-methyl-2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-[(4-isobutyrylpiperazino)methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Formula: C23H29ClN5O3S+ MolecularWeight: 491.02606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=[N+](C3=C(N2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=[N+](C3=C(N2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C23H28ClN5O3S/c1-16(2)23(30)29-12-10-28(11-13-29)15-22-25-20-14-18(6-9-21(20)27(22)3)26-33(31,32)19-7-4-17(24)5-8-19/h4-9,14,16,26H,10-13,15H2,1-3H3/p+1