(2-ethoxy-2-oxidanylidene-ethylidene)-methyl-(1-quinolin-3-ylcyclohexyl)carbothioyl-azanium

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethylidene)-methyl-(1-quinolin-3-ylcyclohexyl)carbothioyl-azanium Openeye Name: (2-ethoxy-2-oxo-ethylidene)-methyl-[1-(3-quinolyl)cyclohexanecarbothioyl]ammonium CAS Name: (2-ethoxy-2-oxoethylidene)-methyl-[[1-(3-quinolinyl)cyclohexyl]-sulfanylidenemethyl]ammonium IUPAC Name: (2-ethoxy-2-oxoethylidene)-methyl-(1-quinolin-3-ylcyclohexanecarbothioyl)azanium Traditional Name: (2-ethoxy-2-keto-ethylidene)-methyl-[1-(3-quinolyl)cyclohexanecarbothioyl]ammonium Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=[N+](C)C(=S)C1(CCCCC1)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCOC(=O)C=[N+](C)C(=S)C1(CCCCC1)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H25N2O2S/c1-3-25-19(24)15-23(2)20(26)21(11-7-4-8-12-21)17-13-16-9-5-6-10-18(16)22-14-17/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3/q+1