1-[[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(4-isopropylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-methyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[(1-methyl-3-p-cumenyl-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4/c1-14(2)15-4-6-16(7-5-15)18-17(12-21(3)20-18)13-22-10-8-19-9-11-22/h4-7,12,14,19H,8-11,13H2,1-3H3/p+1