2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl-dimethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-24(2)14-15-25(19(26)13-10-16-8-6-5-7-9-16)22-23-20-17(27-3)11-12-18(28-4)21(20)29-22/h5-13H,14-15H2,1-4H3/p+1/b13-10+