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

Systemtic Name: 3-(4-bromophenyl)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-methyl-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-2-methyl-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H24BrNO3 MolecularWeight: 442.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C)[O-]

InChI

InChI=1S/C23H24BrNO3/c1-14-5-3-4-12-25(14)13-19-20(26)11-10-18-22(27)21(15(2)28-23(18)19)16-6-8-17(24)9-7-16/h6-11,14,26H,3-5,12-13H2,1-2H3