[(2S)-1-(1,3-benzothiazol-2-yl)-5-methyl-hexan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzothiazol-2-yl)-5-methyl-hexan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-ylmethyl)-4-methyl-pentyl]ammonium CAS Name: [(2S)-1-(1,3-benzothiazol-2-yl)-5-methylhexan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzothiazol-2-yl)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-ylmethyl)-4-methyl-pentyl]ammonium Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2S/c1-10(2)7-8-11(15)9-14-16-12-5-3-4-6-13(12)17-14/h3-6,10-11H,7-9,15H2,1-2H3/p+1/t11-/m0/s1