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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-methylphenoxy)acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O2/c1-18-8-4-5-9-22(18)28-17-23(27)24-16-21(26-14-6-7-15-26)19-10-12-20(13-11-19)25(2)3/h4-5,8-13,21H,6-7,14-17H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1