2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]methyl]-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C23H30ClFN5O2S+ MolecularWeight: 495.033003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H29ClFN5O2S/c1-4-30-22-9-8-17(33(31,32)27(2)3)14-21(22)26-23(30)16-29-12-10-28(11-13-29)15-18-19(24)6-5-7-20(18)25/h5-9,14H,4,10-13,15-16H2,1-3H3/p+1