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

Systemtic Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-2-(2-thienyl)acrylate Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=CC=CS2)C(=O)[O-])OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)[O-])OCCC[NH+](C)C

InChI

InChI=1S/C20H25NO4S/c1-4-24-18-14-15(8-9-17(18)25-11-6-10-21(2)3)13-16(20(22)23)19-7-5-12-26-19/h5,7-9,12-14H,4,6,10-11H2,1-3H3,(H,22,23)/b16-13-