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

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H20BrClN3O2S2+ MolecularWeight: 489.8573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClN3O2S2/c1-22(2)9-4-10-23(17(24)13-7-8-14(19)26-13)18-21-15-12(25-3)6-5-11(20)16(15)27-18/h5-8H,4,9-10H2,1-3H3/p+1