2-[1-benzofuran-2-ylcarbonyl-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H21ClN3O2S+ MolecularWeight: 414.92834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-13-15(22)8-9-18-19(13)23-21(28-18)25(11-10-24(2)3)20(26)17-12-14-6-4-5-7-16(14)27-17/h4-9,12H,10-11H2,1-3H3/p+1