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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[(4-phenylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-phenylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-phenylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-phenylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C30H30NO6+ MolecularWeight: 500.5623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H29NO6/c1-2-35-30(34)22-8-10-23(11-9-22)37-27-19-36-29-24(28(27)33)12-13-26(32)25(29)18-31-16-14-21(15-17-31)20-6-4-3-5-7-20/h3-13,19,21,32H,2,14-18H2,1H3/p+1