3-[(5-bromanylthiophen-2-yl)carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C19H23BrN3O3S2+ MolecularWeight: 485.43822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrN3O3S2/c1-22(2)10-5-11-23(18(24)14-8-9-15(20)27-14)19-21-16-12(25-3)6-7-13(26-4)17(16)28-19/h6-9H,5,10-11H2,1-4H3/p+1