3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-2-carbethoxy-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H25BrN2O5 MolecularWeight: 501.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrN2O5/c1-3-31-24(30)23-20(15-4-6-16(25)7-5-15)21(29)17-8-9-19(28)18(22(17)32-23)14-27-12-10-26(2)11-13-27/h4-9,28H,3,10-14H2,1-2H3