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

Systemtic Name: (E)-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C16H21NO4/c1-20-15-12-13(5-7-16(18)19)4-6-14(15)21-11-10-17-8-2-3-9-17/h4-7,12H,2-3,8-11H2,1H3,(H,18,19)/b7-5+