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

Systemtic Name: (2R)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C21H27NO4S/c1-25-18-8-7-16(14-17(21(23)24)20-6-5-13-27-20)15-19(18)26-12-11-22-9-3-2-4-10-22/h5-8,13,15,17H,2-4,9-12,14H2,1H3,(H,23,24)/t17-/m0/s1