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

Systemtic Name: 2-[(4-dimethylaminophenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-6-26(7-2)15-16-27(22(28)18-11-13-19(14-12-18)25(4)5)23-24-21-17(3)9-8-10-20(21)29-23/h8-14H,6-7,15-16H2,1-5H3/p+1