1-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C17H25N4+ MolecularWeight: 285.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

InChI

InChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-16(12-20(2)19-17)13-21-10-8-18-9-11-21/h4-7,12,18H,3,8-11,13H2,1-2H3/p+1