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

Systemtic Name: (2S)-3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propionate Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C23H29NO4/c1-2-27-22-17-18(16-20(23(25)26)19-8-4-3-5-9-19)10-11-21(22)28-15-14-24-12-6-7-13-24/h3-5,8-11,17,20H,2,6-7,12-16H2,1H3,(H,25,26)/t20-/m0/s1