3-[(5-bromanylthiophen-2-yl)carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(5,7-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=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br)C

InChI

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