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

Systemtic Name: 3-(2-methoxyphenyl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxyphenyl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-methoxyphenyl)-2-methyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenyl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenyl)-2-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)[O-]

InChI

InChI=1S/C24H27NO4/c1-15-7-6-12-25(13-15)14-19-20(26)11-10-18-23(27)22(16(2)29-24(18)19)17-8-4-5-9-21(17)28-3/h4-5,8-11,15,26H,6-7,12-14H2,1-3H3