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

Systemtic Name: [(2R,3S)-1-(1,3-benzothiazol-2-yl)-3-methyl-hexan-2-yl]azanium Openeye Name: [(1R,2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-pentyl]ammonium CAS Name: [(2R,3S)-1-(1,3-benzothiazol-2-yl)-3-methylhexan-2-yl]ammonium IUPAC Name: [(2R,3S)-1-(1,3-benzothiazol-2-yl)-3-methylhexan-2-yl]azanium Traditional Name: [(1R,2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-pentyl]ammonium Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2S/c1-3-6-10(2)11(15)9-14-16-12-7-4-5-8-13(12)17-14/h4-5,7-8,10-11H,3,6,9,15H2,1-2H3/p+1/t10-,11+/m0/s1