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

Systemtic Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]acrylate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC=C1OC)C=CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-16(2)10-5-11-20-15-12(8-9-14(17)18)6-4-7-13(15)19-3/h4,6-9H,5,10-11H2,1-3H3,(H,17,18)/b9-8+