7-bromanyl-4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[(2R)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H21BrNO3+ MolecularWeight: 415.30034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO3/c1-25-17-5-2-4-14(10-17)19-6-3-9-23(19)13-15-11-21(24)26-20-12-16(22)7-8-18(15)20/h2,4-5,7-8,10-12,19H,3,6,9,13H2,1H3/p+1/t19-/m1/s1