4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one

Systemtic Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Openeye Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one CAS Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Formula: C19H19N2O3S+ MolecularWeight: 355.43076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCCSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCCSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C19H18N2O3S/c22-16(13-7-8-17-18(12-13)24-10-9-23-17)6-3-11-25-19-20-14-4-1-2-5-15(14)21-19/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,20,21)/p+1