1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(8-methoxy-4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(8-methoxy-4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C20H25N2O2S3+ MolecularWeight: 421.6197

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=C(N1C(=O)C[NH+]4CCCCC4)C=CC(=C3)OC)C(=S)SS2)C

Isomeric SMILES

CC1(C2=C(C3=C(N1C(=O)C[NH+]4CCCCC4)C=CC(=C3)OC)C(=S)SS2)C

InChI

InChI=1S/C20H24N2O2S3/c1-20(2)18-17(19(25)27-26-18)14-11-13(24-3)7-8-15(14)22(20)16(23)12-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12H2,1-3H3/p+1