(2S)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2S)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3S/c21-16-6-7-18(25-11-10-22-8-2-1-3-9-22)15(13-16)14-17(20(23)24)19-5-4-12-26-19/h4-7,12-13,17H,1-3,8-11,14H2,(H,23,24)/t17-/m1/s1