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

Systemtic Name: 1-[2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxo-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl]oxy]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-keto-3-(4-methoxyphenyl)-2,8-dimethyl-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Formula: C26H31N2O5+ MolecularWeight: 451.53474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-16-22(32-15-14-28-12-10-19(11-13-28)26(27)30)9-8-21-24(29)23(17(2)33-25(16)21)18-4-6-20(31-3)7-5-18/h4-9,19H,10-15H2,1-3H3,(H2,27,30)/p+1