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

Systemtic Name: (2S)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C[C@H](C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C20H25NO3S/c22-20(23)18(19-8-5-13-25-19)15-16-6-4-7-17(14-16)24-12-11-21-9-2-1-3-10-21/h4-8,13-14,18H,1-3,9-12,15H2,(H,22,23)/t18-/m1/s1