1-[2-[3-(4-methoxyphenyl)-8-methyl-4-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[3-(4-methoxyphenyl)-8-methyl-4-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[3-(4-methoxyphenyl)-8-methyl-4-oxo-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-1-benzopyran-7-yl]oxy]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-keto-3-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Formula: C25H29N2O5+ MolecularWeight: 437.50816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)OC)OCC[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)OC)OCC[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C25H28N2O5/c1-16-22(31-14-13-27-11-9-18(10-12-27)25(26)29)8-7-20-23(28)21(15-32-24(16)20)17-3-5-19(30-2)6-4-17/h3-8,15,18H,9-14H2,1-2H3,(H2,26,29)/p+1