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

Systemtic Name: (Z)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenyl-prop-2-enoate Openeye Name: (Z)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-prop-2-enoate CAS Name: (Z)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-2-propenoate IUPAC Name: (Z)-3-[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-phenylprop-2-enoate Traditional Name: (Z)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-phenyl-acrylate Formula: C20H22ClNO3 MolecularWeight: 359.84658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-22(2)11-6-12-25-19-10-9-17(21)13-16(19)14-18(20(23)24)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,23,24)/b18-14-