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

Systemtic Name: (E)-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c18-16(19)9-8-14-6-2-3-7-15(14)20-13-12-17-10-4-1-5-11-17/h2-3,6-9H,1,4-5,10-13H2,(H,18,19)/b9-8+