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

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromothiophene-2-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H21BrN3OS2+ MolecularWeight: 439.41284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrN3OS2/c1-12-6-4-7-13-16(12)20-18(25-13)22(11-5-10-21(2)3)17(23)14-8-9-15(19)24-14/h4,6-9H,5,10-11H2,1-3H3/p+1