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

Systemtic Name: 1-[[3-(4-ethoxyphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(4-ethoxyphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[3-(4-ethoxyphenyl)-1-methyl-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[(1-methyl-3-p-phenetyl-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

InChI

InChI=1S/C17H24N4O/c1-3-22-16-6-4-14(5-7-16)17-15(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