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

Systemtic Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[2-[3-(dimethylammonio)propoxy]-3-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=C1OC)C=C(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)/C=C(/C2=CC=CS2)\C(=O)[O-]

InChI

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