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

Systemtic Name: (Z)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate Openeye Name: (Z)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate CAS Name: (Z)-3-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-phenyl-2-propenoate IUPAC Name: (Z)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenylprop-2-enoate Traditional Name: (Z)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-acrylate Formula: C23H27NO4 MolecularWeight: 381.46478

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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+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C23H27NO4/c1-27-21-11-10-18(16-20(23(25)26)19-8-4-2-5-9-19)17-22(21)28-15-14-24-12-6-3-7-13-24/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,26)/b20-16-