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

Systemtic Name: N-[2-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2,5-dimethylphenyl)-5-methyl-3-pyrazolyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2,5-dimethylphenyl)-5-methyl-pyrazol-3-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C24H29N5O2/c1-17-4-5-18(2)22(14-17)29-23(15-19(3)26-29)25-24(31)16-27-10-12-28(13-11-27)20-6-8-21(30)9-7-20/h4-9,14-15,30H,10-13,16H2,1-3H3,(H,25,31)/p+1