3-(4-bromophenyl)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)C4=CC=C(C=C4)Br

InChI

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