2-[(3-chlorophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorobenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-13-10-17-18(11-14(13)2)26-20(22-17)24(9-8-23(3)4)19(25)15-6-5-7-16(21)12-15/h5-7,10-12H,8-9H2,1-4H3/p+1