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

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H29N5O2/c1-16(2)22(29)26-12-10-25(11-13-26)15-21(28)23-20-14-19(17-8-9-17)24-27(20)18-6-4-3-5-7-18/h3-7,14,16-17H,8-13,15H2,1-2H3,(H,23,28)/p+1