(Z)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate

Systemtic Name: (Z)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate Openeye Name: (Z)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate CAS Name: (Z)-3-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenyl-2-propenoate IUPAC Name: (Z)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylprop-2-enoate Traditional Name: (Z)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-acrylate Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C=C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)/C=C(/C3=CC=CC=C3)\C(=O)[O-]

InChI

InChI=1S/C22H25NO4/c1-26-20-11-7-10-18(21(20)27-15-14-23-12-5-6-13-23)16-19(22(24)25)17-8-3-2-4-9-17/h2-4,7-11,16H,5-6,12-15H2,1H3,(H,24,25)/b19-16-