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

Systemtic Name: methyl 4-[2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)OC4=CC=C(C=C4)C(=O)OC

InChI

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