1,3-benzothiazol-2-ylmethyl-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H23N3OS/c1-11(15(20)18-16(2,3)4)19(5)10-14-17-12-8-6-7-9-13(12)21-14/h6-9,11H,10H2,1-5H3,(H,18,20)/p+1/t11-/m0/s1