1-(2-ethoxyphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-o-phenetyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-2-27-21-11-7-6-10-20(21)26-14-12-25(13-15-26)17-19-16-23-24-22(19)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3,(H,23,24)/p+1