2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(1,3-benzodioxol-5-yl)acetamide Formula: C16H14N3O3S+ MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C16H13N3O3S/c20-15(17-10-5-6-13-14(7-10)22-9-21-13)8-23-16-18-11-3-1-2-4-12(11)19-16/h1-7H,8-9H2,(H,17,20)(H,18,19)/p+1