(E)-(1-cyclohexyl-2-oxidanylidene-5,6-dihydroimidazo[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxy-methanolate

Systemtic Name: (E)-(1-cyclohexyl-2-oxidanylidene-5,6-dihydroimidazo[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxy-methanolate Openeye Name: (E)-(1-cyclohexyl-2-oxo-5,6-dihydroimidazo[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxy-methanolate CAS Name: (E)-(1-cyclohexyl-2-oxo-5,6-dihydroimidazo[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxymethanolate IUPAC Name: (E)-(1-cyclohexyl-2-oxo-5,6-dihydroimidazo[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxymethanolate Traditional Name: (E)-(1-cyclohexyl-2-keto-5,6-dihydroimidaz[2,1-a]isoquinolin-1-ium-3-ylidene)-methoxy-methanolate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(=O)[N+](=C2N1CCC3=CC=CC=C32)C4CCCCC4)[O-]

Isomeric SMILES

CO/C(=C/1\C(=O)[N+](=C2N1CCC3=CC=CC=C32)C4CCCCC4)/[O-]

InChI

InChI=1S/C19H22N2O3/c1-24-19(23)16-18(22)21(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-20(16)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3