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

Systemtic Name: (E)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(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(=C2)C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c18-16(19)8-7-14-5-4-6-15(13-14)20-12-11-17-9-2-1-3-10-17/h4-8,13H,1-3,9-12H2,(H,18,19)/b8-7+