cyclooctyl-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium

Systemtic Name: cyclooctyl-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: cyclooctyl-[(2-phenyltriazol-4-yl)methyl]ammonium CAS Name: cyclooctyl-[(2-phenyl-4-triazolyl)methyl]ammonium IUPAC Name: cyclooctyl-[(2-phenyltriazol-4-yl)methyl]azanium Traditional Name: cyclooctyl-[(2-phenyltriazol-4-yl)methyl]ammonium Formula: C17H25N4+ MolecularWeight: 285.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-2-5-9-15(10-6-3-1)18-13-16-14-19-21(20-16)17-11-7-4-8-12-17/h4,7-8,11-12,14-15,18H,1-3,5-6,9-10,13H2/p+1