1,3-benzothiazol-2-ylmethyl-[(2S,3S)-3-methylpentan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2S)-1,2-dimethylbutyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S,3S)-3-methylpentan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2S)-1,2-dimethylbutyl]ammonium Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H20N2S/c1-4-10(2)11(3)15-9-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3/p+1/t10-,11-/m0/s1