1-[2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCC(CC3)C(=O)N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCC(CC3)C(=O)N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H30N2O6/c1-16-20-6-5-19(33-13-12-28-10-8-17(9-11-28)25(27)29)15-22(20)34-26(30)24(16)18-4-7-21(31-2)23(14-18)32-3/h4-7,14-15,17H,8-13H2,1-3H3,(H2,27,29)/p+1