2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2-furylmethyl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2-furfuryl)acetamide Formula: C14H14N3O2S+ MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C14H13N3O2S/c18-13(15-8-10-4-3-7-19-10)9-20-14-16-11-5-1-2-6-12(11)17-14/h1-7H,8-9H2,(H,15,18)(H,16,17)/p+1