N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC[C@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C23H30N2O4/c1-27-20-13-17(14-21(28-2)23(20)29-3)15-22(26)24-16-19(25-11-7-8-12-25)18-9-5-4-6-10-18/h4-6,9-10,13-14,19H,7-8,11-12,15-16H2,1-3H3,(H,24,26)/p+1/t19-/m1/s1