4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCCC3

InChI

InChI=1S/C21H23N3O2/c1-26-19-6-4-5-18(13-19)20(24-11-2-3-12-24)15-23-21(25)17-9-7-16(14-22)8-10-17/h4-10,13,20H,2-3,11-12,15H2,1H3,(H,23,25)/p+1/t20-/m0/s1