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

Systemtic Name: 1-[[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[3-(3-methoxyphenyl)-1-methyl-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C16H23N4O+ MolecularWeight: 287.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)CN3CC[NH2+]CC3

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)CN3CC[NH2+]CC3

InChI

InChI=1S/C16H22N4O/c1-19-11-14(12-20-8-6-17-7-9-20)16(18-19)13-4-3-5-15(10-13)21-2/h3-5,10-11,17H,6-9,12H2,1-2H3/p+1