4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2/c1-4-30-23-13-9-8-12-22(23)27-16-14-26(15-17-27)18-21-19(2)25(3)28(24(21)29)20-10-6-5-7-11-20/h5-13H,4,14-18H2,1-3H3/p+1