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

Systemtic Name: (Z)-2-(4-methoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-(4-methoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-(4-methoxyphenyl)-3-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-(4-methoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-(4-methoxyphenyl)-3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-26-19-9-7-18(8-10-19)21(22(24)25)16-17-5-4-6-20(15-17)27-14-13-23-11-2-3-12-23/h4-10,15-16H,2-3,11-14H2,1H3,(H,24,25)/b21-16-