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

Systemtic Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzonitrile Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C20H22N2O2/c1-23-17-8-9-18(20(12-17)24-2)19-7-4-10-22(19)14-16-6-3-5-15(11-16)13-21/h3,5-6,8-9,11-12,19H,4,7,10,14H2,1-2H3/p+1/t19-/m1/s1