(Z)-2-(3,4-dimethoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC(=CC=C2)OCC[NH+]3CCCC3)/C(=O)[O-])OC

InChI

InChI=1S/C23H27NO5/c1-27-21-9-8-18(16-22(21)28-2)20(23(25)26)15-17-6-5-7-19(14-17)29-13-12-24-10-3-4-11-24/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,25,26)/b20-15-