3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[benzoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzoyl-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-23(2)12-7-13-24(19(25)14-8-5-4-6-9-14)20-22-17-16(26-3)11-10-15(21)18(17)27-20/h4-6,8-11H,7,12-13H2,1-3H3/p+1