2-[(3-methoxyphenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-methoxyphenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-methoxybenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-methoxybenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[m-anisoyl-[6-(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=C(C=C2)SC)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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