3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H25N3OS2/c1-4-16-8-10-18-19(15-16)27-21(22-18)24(13-6-12-23(2)3)20(25)11-9-17-7-5-14-26-17/h5,7-11,14-15H,4,6,12-13H2,1-3H3/p+1/b11-9+