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

Systemtic Name: (E)-3-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-2-(2-thienyl)acrylate Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)C=C(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)[O-])OC

InChI

InChI=1S/C19H23NO4S/c1-20(2)9-5-10-24-17-13-14(7-8-16(17)23-3)12-15(19(21)22)18-6-4-11-25-18/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,21,22)/b15-12-