2-[(3-chlorophenyl)carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorobenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-23(2)10-11-24(19(25)13-6-5-7-14(21)12-13)20-22-17-15(26-3)8-9-16(27-4)18(17)28-20/h5-9,12H,10-11H2,1-4H3/p+1