7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide hydrate

Systemtic Name: 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide hydrate Openeye Name: 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide hydrate CAS Name: 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide hydrate IUPAC Name: 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide hydrate Traditional Name: 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazol[1,2-a]indazol-4-ium bromide hydrate Formula: C17H19BrN2O MolecularWeight: 347.24956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3CCC[N+]3=C2C4=CC=CC=C4.O.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)N3CCC[N+]3=C2C4=CC=CC=C4.O.[Br-]

InChI

InChI=1S/C17H17N2.BrH.H2O/c1-13-8-9-16-15(12-13)17(14-6-3-2-4-7-14)19-11-5-10-18(16)19;;/h2-4,6-9,12H,5,10-11H2,1H3;1H;1H2/q+1;;/p-1