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

Systemtic Name: (E)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[2-(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=C2C=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)16(18-8-5-13-24-18)14-15-6-1-2-7-17(15)23-12-11-20-9-3-4-10-20/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,22)/b16-14-