1-ethyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C24H33FN5O2S+ MolecularWeight: 474.614523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H32FN5O2S/c1-4-30-23-11-10-21(33(31,32)27(2)3)16-22(23)26-24(30)18-29-13-5-12-28(14-15-29)17-19-6-8-20(25)9-7-19/h6-11,16H,4-5,12-15,17-18H2,1-3H3/p+1