2-[[4-(diethylamino)phenyl]carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(diethylamino)phenyl]carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(diethylamino)benzoyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(diethylamino)benzoyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(diethylamino)benzoyl]-(5-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(S2)C=CC(=C3)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3)OC

InChI

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