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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-4-oxo-8-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-piperidinopiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H35N2O6+ MolecularWeight: 507.598

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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)N5CCCCC5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)N5CCCCC5)O

InChI

InChI=1S/C29H34N2O6/c1-2-35-29(34)20-6-8-22(9-7-20)37-26-19-36-28-23(27(26)33)10-11-25(32)24(28)18-30-16-12-21(13-17-30)31-14-4-3-5-15-31/h6-11,19,21,32H,2-5,12-18H2,1H3/p+1