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

Systemtic Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C)[O-]

InChI

InChI=1S/C23H25BrN2O3/c1-3-25-10-12-26(13-11-25)14-19-20(27)9-8-18-22(28)21(15(2)29-23(18)19)16-4-6-17(24)7-5-16/h4-9,27H,3,10-14H2,1-2H3