(E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-2-phenyl-prop-2-enoate

Systemtic Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-2-phenyl-prop-2-enoate Openeye Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-2-phenyl-prop-2-enoate CAS Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-2-phenyl-2-propenoate IUPAC Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-2-phenylprop-2-enoate Traditional Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-2-phenyl-acrylate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)C=C(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)[O-])OC

InChI

InChI=1S/C21H25NO4/c1-22(2)12-7-13-26-19-11-10-16(15-20(19)25-3)14-18(21(23)24)17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,23,24)/b18-14+