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

Systemtic Name: 3-(4-ethoxycarbonylphenoxy)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-ethoxycarbonylphenoxy)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-ethoxycarbonylphenoxy)-2-methyl-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-ethoxycarbonylphenoxy)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-4-keto-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C)[O-])C

InChI

InChI=1S/C26H29NO6/c1-4-31-26(30)18-8-10-19(11-9-18)33-24-17(3)32-25-20(23(24)29)12-13-22(28)21(25)15-27-14-6-5-7-16(27)2/h8-13,16,28H,4-7,14-15H2,1-3H3