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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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