ethyl 4-[2-methyl-8-[[(2S)-2-(4-methylphenyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[2-methyl-8-[[(2S)-2-(4-methylphenyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[[(2S)-2-(p-tolyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-8-[[(2S)-2-(4-methylphenyl)-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-8-[[(2S)-2-(4-methylphenyl)piperidin-1-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[(2S)-2-(p-tolyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C32H34NO6+ MolecularWeight: 528.61546

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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+]4CCCCC4C5=CC=C(C=C5)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC[C@H]4C5=CC=C(C=C5)C)O)C

InChI

InChI=1S/C32H33NO6/c1-4-37-32(36)23-12-14-24(15-13-23)39-30-21(3)38-31-25(29(30)35)16-17-28(34)26(31)19-33-18-6-5-7-27(33)22-10-8-20(2)9-11-22/h8-17,27,34H,4-7,18-19H2,1-3H3/p+1/t27-/m0/s1