8-methyl-7-oxidanyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-phenyl-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+]3CCCCC3)C(=CC(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+]3CCCCC3)C(=CC(=O)O2)C4=CC=CC=C4

InChI

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