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

Systemtic Name: 3-(4-bromophenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=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/C22H23BrN2O3/c1-14-20(15-3-5-16(23)6-4-15)21(27)17-7-8-19(26)18(22(17)28-14)13-25-11-9-24(2)10-12-25/h3-8,26H,9-13H2,1-2H3