2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl-dimethyl-azanium Openeye Name: 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylethyl-dimethyl-ammonium CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethyl-dimethylammonium IUPAC Name: 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethyl-dimethylazanium Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethyl-dimethyl-ammonium Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC[NH+](C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC[NH+](C)C

InChI

InChI=1S/C17H26N4O3S2/c1-4-21-16-6-5-14(26(22,23)20-7-10-24-11-8-20)13-15(16)18-17(21)25-12-9-19(2)3/h5-6,13H,4,7-12H2,1-3H3/p+1