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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(CC)CC

InChI

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