2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 2-(2-cyanophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)[NH+]4CCCC4

InChI

InChI=1S/C27H27N3O2/c1-32-22-14-12-20(13-15-22)26(30-16-6-7-17-30)19-29-27(31)25-11-5-4-10-24(25)23-9-3-2-8-21(23)18-28/h2-5,8-15,26H,6-7,16-17,19H2,1H3,(H,29,31)/p+1/t26-/m0/s1