2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl-di(propan-2-yl)azanium chloride

Systemtic Name: 2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl-di(propan-2-yl)azanium chloride Openeye Name: diisopropyl-[2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride CAS Name: 2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl-di(propan-2-yl)ammonium chloride IUPAC Name: 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride Traditional Name: diisopropyl-[2-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride Formula: C25H30ClNO4 MolecularWeight: 443.963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C(C)C)C(C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C(C)C)C(C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H29NO4.ClH/c1-16(2)26(17(3)4)14-15-29-25(28)21-13-9-12-20-22(27)18(5)23(30-24(20)21)19-10-7-6-8-11-19;/h6-13,16-17H,14-15H2,1-5H3;1H