dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]-[(E)-3-(2-thienyl)acryloyl]amino]ethyl]ammonium Formula: C19H22N3OS3+ MolecularWeight: 404.59248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H21N3OS3/c1-21(2)11-12-22(17(23)10-9-14-6-5-13-25-14)19-20-18-15(24-3)7-4-8-16(18)26-19/h4-10,13H,11-12H2,1-3H3/p+1/b10-9+