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

Systemtic Name: (E)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)acrylate Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C=C(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)/C=C(/C3=CC=CS3)\C(=O)[O-]

InChI

InChI=1S/C19H21NO3S/c21-19(22)17(18-7-4-12-24-18)14-15-5-3-6-16(13-15)23-11-10-20-8-1-2-9-20/h3-7,12-14H,1-2,8-11H2,(H,21,22)/b17-14-