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

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[(4-pyridin-1-ium-2-ylpiperazino)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H30N3O6+ MolecularWeight: 516.565

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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(=C3CN4CCN(CC4)C5=CC=CC=[NH+]5)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C5=CC=CC=[NH+]5)O)C

InChI

InChI=1S/C29H29N3O6/c1-3-36-29(35)20-7-9-21(10-8-20)38-27-19(2)37-28-22(26(27)34)11-12-24(33)23(28)18-31-14-16-32(17-15-31)25-6-4-5-13-30-25/h4-13,33H,3,14-18H2,1-2H3/p+1