(E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)acrylate Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/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/h4-9,14-15H,1-3,10-13H2,(H,22,23)/b18-15-