2-[(3-methoxyphenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-methoxyphenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-methoxybenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-methoxybenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[m-anisoyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)11-12-23(19(24)14-7-5-8-15(13-14)25-3)20-21-18-16(26-4)9-6-10-17(18)27-20/h5-10,13H,11-12H2,1-4H3/p+1