2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Formula: C25H33N6+ MolecularWeight: 417.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCN(CC4)C5=NC=CN=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH+]4CCN(CC4)C5=NC=CN=C5

InChI

InChI=1S/C25H32N6/c1-29-18-23(19-30-13-15-31(16-14-30)24-17-26-11-12-27-24)25(28-29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h7-12,17-18,20H,2-6,13-16,19H2,1H3/p+1