6,7-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 6,7-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-2-hydroxy-6,7-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinoline-3-carboxamide CAS Name: 2-hydroxy-6,7-dimethoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-6,7-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-2-hydroxy-4-keto-6,7-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)quinoline-3-carboxamide Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC=C)O)C(=O)NCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(N2CC=C)O)C(=O)NCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C21H27N3O6/c1-4-6-24-15-13-17(29-3)16(28-2)12-14(15)19(25)18(21(24)27)20(26)22-5-7-23-8-10-30-11-9-23/h4,12-13,27H,1,5-11H2,2-3H3,(H,22,26)/p+1