diethyl-[2-[(2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)carbonylamino]ethyl]-prop-2-enyl-azanium iodide

Systemtic Name: diethyl-[2-[(2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)carbonylamino]ethyl]-prop-2-enyl-azanium iodide Openeye Name: allyl-[2-[(1-allyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]ethyl]-diethyl-ammonium iodide CAS Name: diethyl-[2-[[(2-hydroxy-4-oxo-1-prop-2-enyl-3-quinolinyl)-oxomethyl]amino]ethyl]-prop-2-enylammonium iodide IUPAC Name: diethyl-[2-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl]-prop-2-enylazanium iodide Traditional Name: allyl-[2-[(1-allyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]ethyl]-diethyl-ammonium iodide Formula: C22H30IN3O3 MolecularWeight: 511.39637

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC=C)O)CC=C.[I-]

Isomeric SMILES

CC[N+](CC)(CCNC(=O)C1=C(N(C2=CC=CC=C2C1=O)CC=C)O)CC=C.[I-]

InChI

InChI=1S/C22H29N3O3.HI/c1-5-14-24-18-12-10-9-11-17(18)20(26)19(22(24)28)21(27)23-13-16-25(7-3,8-4)15-6-2;/h5-6,9-12H,1-2,7-8,13-16H2,3-4H3,(H-,23,26,27,28);1H