4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCCCC3

InChI

InChI=1S/C22H25N3O2/c1-27-20-11-9-18(10-12-20)21(25-13-3-2-4-14-25)16-24-22(26)19-7-5-17(15-23)6-8-19/h5-12,21H,2-4,13-14,16H2,1H3,(H,24,26)/p+1/t21-/m0/s1