(2S)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2S)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C[C@H](C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C19H23NO3S/c21-19(22)17(18-4-3-13-24-18)14-15-5-7-16(8-6-15)23-12-11-20-9-1-2-10-20/h3-8,13,17H,1-2,9-12,14H2,(H,21,22)/t17-/m1/s1