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

Systemtic Name: 2-methyl-7-oxidanyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 7-hydroxy-2-methyl-3-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H23NO3.ClH/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23;/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3;1H