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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3OS2/c1-21(2)12-6-13-22(18(23)11-10-15-7-5-14-24-15)19-20-16-8-3-4-9-17(16)25-19/h3-5,7-11,14H,6,12-13H2,1-2H3/p+1/b11-10+