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

Systemtic Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl-dimethyl-ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-23(2)14-15-24(19(25)13-12-16-8-5-4-6-9-16)21-22-20-17(26-3)10-7-11-18(20)27-21/h4-13H,14-15H2,1-3H3/p+1/b13-12+