3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CN3C4=CC=CC=C4OC3=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CN3C4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C20H22N2O4/c1-24-14-9-10-15(19(12-14)25-2)16-7-5-11-21(16)13-22-17-6-3-4-8-18(17)26-20(22)23/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3/p+1/t16-/m1/s1