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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C17H19BrN3OS2+ MolecularWeight: 425.38626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3OS2/c1-11-5-4-6-12-15(11)19-17(24-12)21(10-9-20(2)3)16(22)13-7-8-14(18)23-13/h4-8H,9-10H2,1-3H3/p+1