2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H19N3OS2/c1-20(2)11-12-21(17(22)10-9-14-6-5-13-23-14)18-19-15-7-3-4-8-16(15)24-18/h3-10,13H,11-12H2,1-2H3/p+1/b10-9+