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

Systemtic Name: 2-[[4-(diethylamino)phenyl]carbonyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(diethylamino)benzoyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(diethylamino)benzoyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(diethylamino)benzoyl]-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C24H32N4OS/c1-7-27(8-2)20-11-9-19(10-12-20)23(29)28(14-13-26(5)6)24-25-22-18(4)15-17(3)16-21(22)30-24/h9-12,15-16H,7-8,13-14H2,1-6H3/p+1