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

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C19H23BrN3OS2+ MolecularWeight: 453.43942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C19H22BrN3OS2/c1-12-6-7-14-17(13(12)2)21-19(26-14)23(11-5-10-22(3)4)18(24)15-8-9-16(20)25-15/h6-9H,5,10-11H2,1-4H3/p+1