methyl 4-[8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: methyl 4-[8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H26NO6+ MolecularWeight: 424.46634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C24H25NO6/c1-15-9-11-25(12-10-15)13-19-20(26)8-7-18-22(27)21(14-30-23(18)19)31-17-5-3-16(4-6-17)24(28)29-2/h3-8,14-15,26H,9-13H2,1-2H3/p+1