3-(4-methoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-methoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)14-20-21(25)8-5-17-13-19(23(26)28-22(17)20)16-3-6-18(27-2)7-4-16/h3-8,13,15,25H,9-12,14H2,1-2H3/p+1