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

Systemtic Name: ethyl 4-[2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-8-[[(3S)-3-methyl-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-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H30NO6+ MolecularWeight: 452.5195

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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+]4CCCC(C4)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCC[C@@H](C4)C)O)C

InChI

InChI=1S/C26H29NO6/c1-4-31-26(30)18-7-9-19(10-8-18)33-24-17(3)32-25-20(23(24)29)11-12-22(28)21(25)15-27-13-5-6-16(2)14-27/h7-12,16,28H,4-6,13-15H2,1-3H3/p+1/t16-/m0/s1