(E)-3-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]-2-(2-thienyl)acrylate Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)C=C(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)/C=C(/C2=CC=CS2)\C(=O)[O-])OC

InChI

InChI=1S/C19H22ClNO4S/c1-21(2)7-5-8-25-18-15(20)11-13(12-16(18)24-3)10-14(19(22)23)17-6-4-9-26-17/h4,6,9-12H,5,7-8H2,1-3H3,(H,22,23)/b14-10-