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

Systemtic Name: 2-[4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C22H23N6+ MolecularWeight: 371.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43)C5=NC=CC=N5

InChI

InChI=1S/C22H22N6/c1-2-7-19-17(5-1)6-3-8-20(19)21-18(15-25-26-21)16-27-11-13-28(14-12-27)22-23-9-4-10-24-22/h1-10,15H,11-14,16H2,(H,25,26)/p+1