(3S)-1-[[1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[1-(2-chloroallyl)-6,7-dimethoxy-2-oxo-3-quinolyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxo-3-quinolinyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxoquinolin-3-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[1-(2-chloroallyl)-2-keto-6,7-dimethoxy-3-quinolyl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCCC(C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCC[C@@H](C3)C(=O)N)OC

InChI

InChI=1S/C21H26ClN3O4/c1-13(22)10-25-17-9-19(29-3)18(28-2)8-15(17)7-16(21(25)27)12-24-6-4-5-14(11-24)20(23)26/h7-9,14H,1,4-6,10-12H2,2-3H3,(H2,23,26)/p+1/t14-/m0/s1