1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium CAS Name: 1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazin-1-ium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C[N+]2(CCNCC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1)C[N+]2(CCNCC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N4/c1-18-22(20-10-6-3-7-11-20)21(25-24-18)17-26(14-12-23-13-15-26)16-19-8-4-2-5-9-19/h2-11,23H,12-17H2,1H3,(H,24,25)/q+1