2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(o-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[5-methyl-2-(2-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[5-methyl-2-(o-tolyl)pyrazol-3-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H27N5O2/c1-17-5-3-4-6-21(17)28-22(15-18(2)25-28)24-23(30)16-26-11-13-27(14-12-26)19-7-9-20(29)10-8-19/h3-10,15,29H,11-14,16H2,1-2H3,(H,24,30)/p+1