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

Systemtic Name: [3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCC1=NC2=CC=CC=C2S1)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=O)CCC1=NC2=CC=CC=C2S1)C[NH+](C)C

InChI

InChI=1S/C17H25N3OS/c1-17(2,12-20(3)4)11-18-15(21)9-10-16-19-13-7-5-6-8-14(13)22-16/h5-8H,9-12H2,1-4H3,(H,18,21)/p+1