3-(7-chloranyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)-N-[(E)-2-hexyldec-1-enoxy]propan-1-amine

Systemtic Name: 3-(7-chloranyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)-N-[(E)-2-hexyldec-1-enoxy]propan-1-amine Openeye Name: 3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)-N-[(E)-2-hexyldec-1-enoxy]propan-1-amine CAS Name: 3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)-N-[(E)-2-hexyldec-1-enoxy]-1-propanamine IUPAC Name: 3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)-N-[(E)-2-hexyldec-1-enoxy]propan-1-amine Traditional Name: 3-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-3-ium-3-yl)propyl-[(E)-2-hexyldec-1-enoxy]amine Formula: C24H43ClN5O+ MolecularWeight: 453.08412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=CONCCC[N+]1=CN=C2N1NC(=C2Cl)C)CCCCCC

Isomeric SMILES

CCCCCCCC/C(=C/ONCCC[N+]1=CN=C2N1NC(=C2Cl)C)/CCCCCC

InChI

InChI=1S/C24H42ClN5O/c1-4-6-8-10-11-13-16-22(15-12-9-7-5-2)19-31-27-17-14-18-29-20-26-24-23(25)21(3)28-30(24)29/h19-20,27H,4-18H2,1-3H3/p+1/b22-19+