2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O/c1-26-18-6-3-2-5-16(18)17-13-15(22-23-17)14-24-9-11-25(12-10-24)19-20-7-4-8-21-19/h2-8,13H,9-12,14H2,1H3,(H,22,23)/p+1