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

Systemtic Name: 3-methyl-7-oxidanyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 7-hydroxy-3-methyl-2-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 7-hydroxy-3-methyl-2-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(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C4=CC=CC=C4.[Cl-]

InChI

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