N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C24H22N3O3S+ MolecularWeight: 432.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c28-23(25-18-10-11-21-22(14-18)30-13-12-29-21)16-31-24-26-19-8-4-5-9-20(19)27(24)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,25,28)/p+1