(E)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[2-(dimethylazaniumyl)ethoxy]phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-(2-thienyl)acrylate Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO3S/c1-19(2)7-8-22-15-6-5-13(18)10-12(15)11-14(17(20)21)16-4-3-9-23-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)/b14-11-