[7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-cycloheptyl-azanium

Systemtic Name: [7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-cycloheptyl-azanium Openeye Name: [7-chloro-1-(2-methoxy-2-oxo-ethyl)-2-oxo-3-quinolyl]methyl-cycloheptyl-ammonium CAS Name: [7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxo-3-quinolinyl]methyl-cycloheptylammonium IUPAC Name: [7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxoquinolin-3-yl]methyl-cycloheptylazanium Traditional Name: [7-chloro-2-keto-1-(2-keto-2-methoxy-ethyl)-3-quinolyl]methyl-cycloheptyl-ammonium Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH2+]C3CCCCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH2+]C3CCCCCC3

InChI

InChI=1S/C20H25ClN2O3/c1-26-19(24)13-23-18-11-16(21)9-8-14(18)10-15(20(23)25)12-22-17-6-4-2-3-5-7-17/h8-11,17,22H,2-7,12-13H2,1H3/p+1