3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 3-(2-tert-butylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C2C[N+](CCN2C3=CC=NN3)(C)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C2C[N+](CCN2C3=CC=NN3)(C)C4=CC=NC=C4

InChI

InChI=1S/C23H30N5/c1-23(2,3)20-8-6-5-7-19(20)21-17-28(4,18-9-12-24-13-10-18)16-15-27(21)22-11-14-25-26-22/h5-14,21H,15-17H2,1-4H3,(H,25,26)/q+1