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

Systemtic Name: 4-(4-methoxyphenyl)-8-methyl-7-oxidanyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-15-22(26)17(14-24-10-4-3-5-11-24)12-20-19(13-21(25)28-23(15)20)16-6-8-18(27-2)9-7-16/h6-9,12-13,26H,3-5,10-11,14H2,1-2H3/p+1