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

Systemtic Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[2-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[2-[3-(dimethylammonio)propoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[2-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)acrylate Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC=C1C=C(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-19(2)10-6-11-22-16-8-4-3-7-14(16)13-15(18(20)21)17-9-5-12-23-17/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,20,21)/b15-13-