6-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: 6-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 6-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 6-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 6-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: 6-bromo-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C23H24BrN2O4+ MolecularWeight: 472.35166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Br)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Br)[NH+]4CCCC4

InChI

InChI=1S/C23H23BrN2O4/c1-29-17-7-4-15(5-8-17)19(26-10-2-3-11-26)14-25-23(28)22-13-20(27)18-12-16(24)6-9-21(18)30-22/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,25,28)/p+1/t19-/m0/s1