2-[1,3-benzothiazol-2-yl-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-cyanophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N4OS/c1-22(2)11-12-23(18(24)15-9-7-14(13-20)8-10-15)19-21-16-5-3-4-6-17(16)25-19/h3-10H,11-12H2,1-2H3/p+1