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

Systemtic Name: 3-(4-bromophenyl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H22BrNO3 MolecularWeight: 428.31898

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO3/c1-14-4-2-3-11-24(14)12-18-20(25)10-9-17-21(26)19(13-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,13-14,25H,2-4,11-12H2,1H3