2-[(4-cyanophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4OS/c1-5-26(6-2)11-12-27(22(28)19-9-7-18(15-24)8-10-19)23-25-20-13-16(3)17(4)14-21(20)29-23/h7-10,13-14H,5-6,11-12H2,1-4H3/p+1