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

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(5-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H21BrN3O2S2+ MolecularWeight: 455.41224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-21(2)9-4-10-22(17(23)15-7-8-16(19)25-15)18-20-13-11-12(24-3)5-6-14(13)26-18/h5-8,11H,4,9-10H2,1-3H3/p+1