7-oxidanyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride

Systemtic Name: 7-oxidanyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 7-hydroxy-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 7-hydroxy-3-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 7-hydroxy-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 7-hydroxy-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C21H21NO3.ClH/c23-19-10-9-16-20(24)18(15-7-3-1-4-8-15)14-25-21(16)17(19)13-22-11-5-2-6-12-22;/h1,3-4,7-10,14,23H,2,5-6,11-13H2;1H