1-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2S,6R)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzimidazole-5-sulfonamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3C[C@H](O[C@H](C3)C)C

InChI

InChI=1S/C18H28N4O3S/c1-4-5-8-22-17-7-6-15(26(19,23)24)9-16(17)20-18(22)12-21-10-13(2)25-14(3)11-21/h6-7,9,13-14H,4-5,8,10-12H2,1-3H3,(H2,19,23,24)/p+1/t13-,14+