1-butyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazole-5-sulfonamide Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCOCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCOCC3

InChI

InChI=1S/C16H24N4O3S/c1-2-3-6-20-15-5-4-13(24(17,21)22)11-14(15)18-16(20)12-19-7-9-23-10-8-19/h4-5,11H,2-3,6-10,12H2,1H3,(H2,17,21,22)/p+1