2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-butan-2-yl]azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-butan-2-yl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-butan-2-yl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(2S)-butan-2-yl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC[C@H](C)[NH2+]CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H18N2S/c1-3-10(2)14-9-8-13-15-11-6-4-5-7-12(11)16-13/h4-7,10,14H,3,8-9H2,1-2H3/p+1/t10-/m0/s1