1-(8-ethoxy-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-ethoxy-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-ethoxy-4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(8-ethoxy-4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C21H27N2O2S3+ MolecularWeight: 435.64628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C21H26N2O2S3/c1-4-25-14-8-9-16-15(12-14)18-19(27-28-20(18)26)21(2,3)23(16)17(24)13-22-10-6-5-7-11-22/h8-9,12H,4-7,10-11,13H2,1-3H3/p+1