2-(azepan-1-ium-1-ylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-(1-azepan-1-iumylmethyl)-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C18H28N4O2S/c1-4-22-17-10-9-15(25(23,24)20(2)3)13-16(17)19-18(22)14-21-11-7-5-6-8-12-21/h9-10,13H,4-8,11-12,14H2,1-3H3/p+1