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

Systemtic Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]-2-(2-thienyl)propionate Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)CC(C4=CC=CS4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)C[C@H](C4=CC=CS4)C(=O)[O-]

InChI

InChI=1S/C23H25NO3S/c25-23(26)20(22-8-5-15-28-22)16-19-18-7-2-1-6-17(18)9-10-21(19)27-14-13-24-11-3-4-12-24/h1-2,5-10,15,20H,3-4,11-14,16H2,(H,25,26)/t20-/m1/s1