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

Systemtic Name: (Z)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate Openeye Name: (Z)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate CAS Name: (Z)-3-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-phenyl-2-propenoate IUPAC Name: (Z)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-phenylprop-2-enoate Traditional Name: (Z)-3-[4-methoxy-3-(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=C(C=C(C=C1)C=C(C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

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

InChI

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