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

Systemtic Name: 4-methyl-7-oxidanyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)C4=CC=CC=C4

InChI

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