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

Systemtic Name: 3-cyano-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-cyano-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-cyano-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-cyano-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-cyano-N-[(2S)-2-(4-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=C(C=C1)C(CNC(=O)C2=CC=CC(=C2)C#N)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-26-19-9-7-17(8-10-19)20(24-11-2-3-12-24)15-23-21(25)18-6-4-5-16(13-18)14-22/h4-10,13,20H,2-3,11-12,15H2,1H3,(H,23,25)/p+1/t20-/m1/s1