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

Systemtic Name: 2-[[4-(diethylamino)phenyl]carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(diethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(diethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(diethylamino)benzoyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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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=CC=C3S2)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-6-26(7-2)18-13-11-17(12-14-18)22(28)27(16-15-25(3)4)23-24-21-19(29-5)9-8-10-20(21)30-23/h8-14H,6-7,15-16H2,1-5H3/p+1