2-[(4-bromophenyl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-bromophenyl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-bromobenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-bromophenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-bromobenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-bromobenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23BrN3OS+ MolecularWeight: 433.38512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H22BrN3OS/c1-13-5-10-17-18(14(13)2)22-20(26-17)24(12-11-23(3)4)19(25)15-6-8-16(21)9-7-15/h5-10H,11-12H2,1-4H3/p+1