2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)COC3=CC=CC=C3)Cl

InChI

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