(2S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide CAS Name: (2S)-N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylbutanamide Traditional Name: (2S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butyramide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C22H27ClN2O/c1-2-18(17-10-4-3-5-11-17)22(26)24-16-21(25-14-8-9-15-25)19-12-6-7-13-20(19)23/h3-7,10-13,18,21H,2,8-9,14-16H2,1H3,(H,24,26)/p+1/t18-,21-/m0/s1