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

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

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-phenylbutyl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-phenylbutyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-phenylbutyl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-phenylbutyl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-[(1S)-1-phenylbutyl]ammonium
Formula: C18H21N2S+
MolecularWeight: 297.43774
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=NC3=CC=CC=C3S2


Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)[NH2+]CC2=NC3=CC=CC=C3S2


InChI

InChI=1S/C18H20N2S/c1-2-8-15(14-9-4-3-5-10-14)19-13-18-20-16-11-6-7-12-17(16)21-18/h3-7,9-12,15,19H,2,8,13H2,1H3/p+1/t15-/m0/s1


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