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

Systemtic Name: (2S)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[4-(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=C(C=C2)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

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

InChI

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