3-[(4-cyanophenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-cyanophenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyanobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyanobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyanobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O2S/c1-15-6-11-18(28-4)19-20(15)29-22(24-19)26(13-5-12-25(2)3)21(27)17-9-7-16(14-23)8-10-17/h6-11H,5,12-13H2,1-4H3/p+1