[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H25N2S+ MolecularWeight: 277.4481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+][C@H](C)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N2S/c1-11(2)9-10-12(3)17-13(4)16-18-14-7-5-6-8-15(14)19-16/h5-8,11-13,17H,9-10H2,1-4H3/p+1/t12-,13+/m0/s1