[1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-2-oxidanylidene-quinolin-3-yl]methyl-cycloheptyl-azanium

Systemtic Name: [1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-2-oxidanylidene-quinolin-3-yl]methyl-cycloheptyl-azanium Openeye Name: [1-(2-chloroallyl)-6,7-dimethoxy-2-oxo-3-quinolyl]methyl-cycloheptyl-ammonium CAS Name: [1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxo-3-quinolinyl]methyl-cycloheptylammonium IUPAC Name: [1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxoquinolin-3-yl]methyl-cycloheptylazanium Traditional Name: [1-(2-chloroallyl)-2-keto-6,7-dimethoxy-3-quinolyl]methyl-cycloheptyl-ammonium Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH2+]C3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH2+]C3CCCCCC3)OC

InChI

InChI=1S/C22H29ClN2O3/c1-15(23)14-25-19-12-21(28-3)20(27-2)11-16(19)10-17(22(25)26)13-24-18-8-6-4-5-7-9-18/h10-12,18,24H,1,4-9,13-14H2,2-3H3/p+1