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

Systemtic Name: 2-[(4-dimethylaminophenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(dimethylamino)benzoyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(dimethylamino)benzoyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(dimethylamino)benzoyl]-(6-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(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

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