1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]ethanone Formula: C21H20NO4S+ MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19NO4S/c1-13-9-21(22-17-11-15(24-2)4-5-16(13)17)27-12-18(23)14-3-6-19-20(10-14)26-8-7-25-19/h3-6,9-11H,7-8,12H2,1-2H3/p+1