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

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl-dimethyl-ammonium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-24(2)13-14-25(18(26)12-9-15-7-5-4-6-8-15)21-23-19-17(27-3)11-10-16(22)20(19)28-21/h4-12H,13-14H2,1-3H3/p+1/b12-9+