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

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O2/c30-21-10-8-19(9-11-21)28-14-12-27(13-15-28)17-24(31)25-23-16-22(18-6-7-18)26-29(23)20-4-2-1-3-5-20/h1-5,8-11,16,18,30H,6-7,12-15,17H2,(H,25,31)/p+1