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

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-benzyl-1,4-diazepan-4-ium-1-yl)methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-benzyl-1,4-diazepan-4-ium-1-yl)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-benzyl-1,4-diazepan-4-ium-1-yl)methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C24H34N5O2S+ MolecularWeight: 456.62406

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S/c1-4-29-23-12-11-21(32(30,31)26(2)3)17-22(23)25-24(29)19-28-14-8-13-27(15-16-28)18-20-9-6-5-7-10-20/h5-7,9-12,17H,4,8,13-16,18-19H2,1-3H3/p+1