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

Systemtic Name: 2-[(4-dimethylaminophenyl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(dimethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(dimethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-23(2)13-14-25(20(26)15-9-11-16(12-10-15)24(3)4)21-22-19-17(27-5)7-6-8-18(19)28-21/h6-12H,13-14H2,1-5H3/p+1