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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H21BrN3OS2+ MolecularWeight: 439.41284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3OS2/c1-11-9-12(2)16-13(10-11)20-18(25-16)22(8-7-21(3)4)17(23)14-5-6-15(19)24-14/h5-6,9-10H,7-8H2,1-4H3/p+1