3-[(3E)-2-(dimethylaminomethyl)-3-hydroxyimino-1-phenyl-butyl]-2-oxidanyl-chromen-4-one hydrochloride

Systemtic Name: 3-[(3E)-2-(dimethylaminomethyl)-3-hydroxyimino-1-phenyl-butyl]-2-oxidanyl-chromen-4-one hydrochloride Openeye Name: 3-[(3E)-2-(dimethylaminomethyl)-3-hydroxyimino-1-phenyl-butyl]-2-hydroxy-chromen-4-one hydrochloride CAS Name: 3-[(3E)-2-(dimethylaminomethyl)-3-hydroxyimino-1-phenylbutyl]-2-hydroxy-1-benzopyran-4-one hydrochloride IUPAC Name: 3-[(3E)-2-(dimethylaminomethyl)-3-hydroxyimino-1-phenylbutyl]-2-hydroxychromen-4-one hydrochloride Traditional Name: 3-[(3E)-2-(dimethylaminomethyl)-3-hydroximino-1-phenyl-butyl]-2-hydroxy-chromone hydrochloride Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C(CN(C)C)C(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.Cl

Isomeric SMILES

C/C(=N\O)/C(CN(C)C)C(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.Cl

InChI

InChI=1S/C22H24N2O4.ClH/c1-14(23-27)17(13-24(2)3)19(15-9-5-4-6-10-15)20-21(25)16-11-7-8-12-18(16)28-22(20)26;/h4-12,17,19,26-27H,13H2,1-3H3;1H/b23-14+;