1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c1-3-25-13-15-26(16-14-25)17-20-18-27(21-7-5-4-6-8-21)24-23(20)19-9-11-22(28-2)12-10-19/h4-12,18H,3,13-17H2,1-2H3/p+1