N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-23(2)19-12-10-17(11-13-19)20(24-14-6-7-15-24)16-22-21(25)18-8-4-3-5-9-18/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1