2-[(4-cyanophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4OS/c1-14-11-18-19(12-15(14)2)27-21(23-18)25(10-9-24(3)4)20(26)17-7-5-16(13-22)6-8-17/h5-8,11-12H,9-10H2,1-4H3/p+1