N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C27H36N5O2+ MolecularWeight: 462.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O2/c1-27(2,3)24-20-25(32(29-24)22-10-6-4-7-11-22)28-26(33)21-31-16-14-30(15-17-31)18-19-34-23-12-8-5-9-13-23/h4-13,20H,14-19,21H2,1-3H3,(H,28,33)/p+1