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

Systemtic Name: (E)-3-[5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-(2-thienyl)acrylate Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S/c1-20(2)8-4-9-23-16-7-6-14(19)11-13(16)12-15(18(21)22)17-5-3-10-24-17/h3,5-7,10-12H,4,8-9H2,1-2H3,(H,21,22)/b15-12-