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3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-2-pentyl-imidazolidin-3-ium-4-ol

3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-2-pentyl-imidazolidin-3-ium-4-ol

Systemtic Name:3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-2-pentyl-imidazolidin-3-ium-4-ol
Openeye Name:3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxido-2-pentyl-imidazolidin-3-ium-4-ol
CAS Name:3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxido-2-pentyl-4-imidazolidin-3-iumol
IUPAC Name:3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxido-2-pentylimidazolidin-3-ium-4-ol
Traditional Name:2-amyl-3-(7-hexyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol
Formula: C21H33N3O2S
MolecularWeight: 391.57062
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC=C1)N=C(S2)[N+]3(C(CNC3CCCCC)O)[O-]


Isomeric SMILES

CCCCCCC1=C2C(=CC=C1)N=C(S2)[N+]3(C(CNC3CCCCC)O)[O-]


InChI

InChI=1S/C21H33N3O2S/c1-3-5-7-9-11-16-12-10-13-17-20(16)27-21(23-17)24(26)18(14-8-6-4-2)22-15-19(24)25/h10,12-13,18-19,22,25H,3-9,11,14-15H2,1-2H3


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