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

Systemtic Name: ethyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-2-methyl-4-oxo-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C30H31N2O6+ MolecularWeight: 515.57694

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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+]4CCN(CC4)C5=CC=CC=C5)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C5=CC=CC=C5)O)C

InChI

InChI=1S/C30H30N2O6/c1-3-36-30(35)21-9-11-23(12-10-21)38-28-20(2)37-29-24(27(28)34)13-14-26(33)25(29)19-31-15-17-32(18-16-31)22-7-5-4-6-8-22/h4-14,33H,3,15-19H2,1-2H3/p+1