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

Systemtic Name: methyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C24H26N2O6/c1-3-25-10-12-26(13-11-25)14-19-20(27)9-8-18-22(28)21(15-31-23(18)19)32-17-6-4-16(5-7-17)24(29)30-2/h4-9,15,27H,3,10-14H2,1-2H3/p+1