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

Systemtic Name: (E)-3-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)C=CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H18ClNO3/c16-13-4-5-14(12(11-13)3-6-15(18)19)20-10-9-17-7-1-2-8-17/h3-6,11H,1-2,7-10H2,(H,18,19)/b6-3+