1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-methoxyethyl)-4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c1-29-16-15-26-11-13-27(14-12-26)18-21-19-28(22-8-4-3-5-9-22)25-24(21)20-7-6-10-23(17-20)30-2/h3-10,17,19H,11-16,18H2,1-2H3/p+1