(2S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butanamide CAS Name: (2S)-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylbutanamide Traditional Name: (2S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-butyramide Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-3-21(18-10-5-4-6-11-18)23(26)24-17-22(25-14-7-8-15-25)19-12-9-13-20(16-19)27-2/h4-6,9-13,16,21-22H,3,7-8,14-15,17H2,1-2H3,(H,24,26)/p+1/t21-,22-/m0/s1