3-[1,3-benzothiazol-2-yl(2-methylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl(2-methylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl(2-methylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-(2-methyl-1-oxopropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl(2-methylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(isobutyryl)amino]propyl-dimethyl-ammonium Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC[NH+](C)C)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(=O)N(CCC[NH+](C)C)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H23N3OS/c1-12(2)15(20)19(11-7-10-18(3)4)16-17-13-8-5-6-9-14(13)21-16/h5-6,8-9,12H,7,10-11H2,1-4H3/p+1