3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S2/c1-15-8-10-17(26-4)19-20(15)28-21(22-19)24(13-6-12-23(2)3)18(25)11-9-16-7-5-14-27-16/h5,7-11,14H,6,12-13H2,1-4H3/p+1/b11-9+