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

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

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(2S)-butan-2-yl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-methylpropyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(2S)-butan-2-yl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(2S)-butan-2-yl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-methylpropyl]ammonium
Formula: C12H17N2S+
MolecularWeight: 221.34178
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H16N2S/c1-3-9(2)13-8-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3/p+1/t9-/m0/s1


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