1-[2-[3-(4-bromophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[3-(4-bromophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[3-(4-bromophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-(4-bromophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[3-(4-bromophenyl)-4-keto-2-methyl-chromen-7-yl]oxyethyl]piperidin-1-ium-4-carboxamide Formula: C24H26BrN2O4+ MolecularWeight: 486.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCC(CC3)C(=O)N)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC[NH+]3CCC(CC3)C(=O)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrN2O4/c1-15-22(16-2-4-18(25)5-3-16)23(28)20-7-6-19(14-21(20)31-15)30-13-12-27-10-8-17(9-11-27)24(26)29/h2-7,14,17H,8-13H2,1H3,(H2,26,29)/p+1