3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]propyl-dimethyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-24(2)14-7-15-25(21(26)13-10-17-8-5-4-6-9-17)22-23-19-12-11-18(27-3)16-20(19)28-22/h4-6,8-13,16H,7,14-15H2,1-3H3/p+1/b13-10+