(E)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]acrylate Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)C=CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H18ClNO3/c1-16(2)8-3-9-19-13-6-5-12(15)10-11(13)4-7-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)/b7-4+