(E)-3-[3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)/C=C/C(=O)[O-]

InChI

InChI=1S/C17H23NO3/c1-13-11-15(5-6-16(19)20)12-14(2)17(13)21-10-9-18-7-3-4-8-18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,20)/b6-5+