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

Systemtic Name: 3-[(3E)-3-hydroxyimino-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2-oxidanyl-chromen-4-one hydrochloride Openeye Name: 2-hydroxy-3-[(3E)-3-hydroxyimino-1-phenyl-2-(1-piperidylmethyl)butyl]chromen-4-one hydrochloride CAS Name: 2-hydroxy-3-[(3E)-3-hydroxyimino-1-phenyl-2-(1-piperidinylmethyl)butyl]-1-benzopyran-4-one hydrochloride IUPAC Name: 2-hydroxy-3-[(3E)-3-hydroxyimino-1-phenyl-2-(piperidin-1-ylmethyl)butyl]chromen-4-one hydrochloride Traditional Name: 3-[(3E)-3-hydroximino-1-phenyl-2-(piperidinomethyl)butyl]-2-hydroxy-chromone hydrochloride Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

C/C(=N\O)/C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C25H28N2O4.ClH/c1-17(26-30)20(16-27-14-8-3-9-15-27)22(18-10-4-2-5-11-18)23-24(28)19-12-6-7-13-21(19)31-25(23)29;/h2,4-7,10-13,20,22,29-30H,3,8-9,14-16H2,1H3;1H/b26-17+;