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

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(dimethylamino)benzoyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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