N,N,1-trimethyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-trimethyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]benzimidazole-5-sulfonamide Openeye Name: 2-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-trimethyl-2-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-keto-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide Formula: C25H34N5O3S+ MolecularWeight: 484.63416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3S/c1-27(2)34(32,33)21-10-11-23-22(18-21)26-24(28(23)3)12-13-25(31)30-15-7-14-29(16-17-30)19-20-8-5-4-6-9-20/h4-6,8-11,18H,7,12-17,19H2,1-3H3/p+1