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

Systemtic Name: 3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-15-4-3-11-24(12-15)13-19-21(25)10-9-18-22(26)20(14-28-23(18)19)16-5-7-17(27-2)8-6-16/h5-10,14-15,25H,3-4,11-13H2,1-2H3