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

Systemtic Name: 7-bromanyl-4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C22H23BrNO3+ MolecularWeight: 429.32692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H22BrNO3/c1-2-26-18-8-5-15(6-9-18)20-4-3-11-24(20)14-16-12-22(25)27-21-13-17(23)7-10-19(16)21/h5-10,12-13,20H,2-4,11,14H2,1H3/p+1/t20-/m1/s1