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

Systemtic Name: (Z)-2-phenyl-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-phenyl-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-phenyl-3-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-phenyl-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-phenyl-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C=C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)/C=C(/C3=CC=CC=C3)\C(=O)[O-]

InChI

InChI=1S/C22H25NO3/c24-22(25)21(19-9-3-1-4-10-19)17-18-8-7-11-20(16-18)26-15-14-23-12-5-2-6-13-23/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H,24,25)/b21-17-