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

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[[(2S)-2-thiophen-2-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[[(2S)-2-(2-thienyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-[[(2S)-2-thiophen-2-yl-1-piperidin-1-iumyl]methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[[(2S)-2-thiophen-2-ylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[(2S)-2-(2-thienyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H30NO6S+ MolecularWeight: 520.6166

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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=CS5)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=CS5)O)C

InChI

InChI=1S/C29H29NO6S/c1-3-34-29(33)19-9-11-20(12-10-19)36-27-18(2)35-28-21(26(27)32)13-14-24(31)22(28)17-30-15-5-4-7-23(30)25-8-6-16-37-25/h6,8-14,16,23,31H,3-5,7,15,17H2,1-2H3/p+1/t23-/m0/s1