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

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-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-2-methyl-4-oxo-8-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[(4-piperidinopiperidin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C30H37N2O6+ MolecularWeight: 521.62458

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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+]4CCC(CC4)N5CCCCC5)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)N5CCCCC5)O)C

InChI

InChI=1S/C30H36N2O6/c1-3-36-30(35)21-7-9-23(10-8-21)38-28-20(2)37-29-24(27(28)34)11-12-26(33)25(29)19-31-17-13-22(14-18-31)32-15-5-4-6-16-32/h7-12,22,33H,3-6,13-19H2,1-2H3/p+1