(2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C19H23NO3S MolecularWeight: 345.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2C[C@H](C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C19H23NO3S/c21-19(22)16(18-8-5-13-24-18)14-15-6-1-2-7-17(15)23-12-11-20-9-3-4-10-20/h1-2,5-8,13,16H,3-4,9-12,14H2,(H,21,22)/t16-/m1/s1