(2R)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium

Systemtic Name: (2R)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium Openeye Name: (2R)-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium CAS Name: (2R)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium IUPAC Name: (2R)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium Traditional Name: (2R)-1-(2-bromo-4,5-dimethoxy-benzyl)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium Formula: C21H27BrNO4+ MolecularWeight: 437.34738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=CC(=C(C=C3Br)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=CC(=C(C=C3Br)OC)OC)OC

InChI

InChI=1S/C21H26BrNO4/c1-24-15-7-8-16(19(11-15)25-2)18-6-5-9-23(18)13-14-10-20(26-3)21(27-4)12-17(14)22/h7-8,10-12,18H,5-6,9,13H2,1-4H3/p+1/t18-/m1/s1