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

Systemtic Name: N-(2-methoxyethyl)-2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C26H34N5O3+ MolecularWeight: 464.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3/c1-33-17-12-27-25(32)20-30-15-13-29(14-16-30)18-22-19-31(23-6-4-3-5-7-23)28-26(22)21-8-10-24(34-2)11-9-21/h3-11,19H,12-18,20H2,1-2H3,(H,27,32)/p+1