[(2S)-1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-ylmethyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(1,3-benzothiazol-2-yl)-4-methylpentan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzothiazol-2-yl)-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-ylmethyl)-3-methyl-butyl]ammonium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=NC2=CC=CC=C2S1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](CC1=NC2=CC=CC=C2S1)[NH3+]

InChI

InChI=1S/C13H18N2S/c1-9(2)7-10(14)8-13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,7-8,14H2,1-2H3/p+1/t10-/m0/s1