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

Systemtic Name: 3-(4-bromophenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrNO4/c1-13-19(14-2-4-15(22)5-3-14)20(25)16-6-7-18(24)17(21(16)27-13)12-23-8-10-26-11-9-23/h2-7,24H,8-12H2,1H3