7-bromanyl-4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H21BrNO3+ MolecularWeight: 415.30034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H20BrNO3/c1-25-17-7-4-14(5-8-17)19-3-2-10-23(19)13-15-11-21(24)26-20-12-16(22)6-9-18(15)20/h4-9,11-12,19H,2-3,10,13H2,1H3/p+1/t19-/m1/s1