1-[(2S)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-[3-(4-methoxyphenyl)-2-methyl-4-oxo-chromen-7-yl]oxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[[3-(4-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-[4-keto-3-(4-methoxyphenyl)-2-methyl-chromen-7-yl]oxy-propyl]piperidin-1-ium-4-carboxamide Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(C[NH+]3CCC(CC3)C(=O)N)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)N)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N2O6/c1-16-24(17-3-5-20(32-2)6-4-17)25(30)22-8-7-21(13-23(22)34-16)33-15-19(29)14-28-11-9-18(10-12-28)26(27)31/h3-8,13,18-19,29H,9-12,14-15H2,1-2H3,(H2,27,31)/p+1/t19-/m0/s1