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

Systemtic Name: 2-[(4-dimethylaminophenyl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(dimethylamino)benzoyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(dimethylamino)benzoyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylamino)benzoyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C22H28N4OS/c1-15-7-12-19-20(16(15)2)23-22(28-19)26(14-13-24(3)4)21(27)17-8-10-18(11-9-17)25(5)6/h7-12H,13-14H2,1-6H3/p+1