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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/c1-3-9(2)10(14)8-13-15-11-6-4-5-7-12(11)16-13/h4-7,9-10H,3,8,14H2,1-2H3/p+1/t9-,10+/m0/s1