N-cyclopropyl-2-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-20-7-9-22(10-8-20)26-24(18-32(29-26)17-21-5-3-2-4-6-21)27(34)31-15-13-30(14-16-31)19-25(33)28-23-11-12-23/h2-10,18,23H,11-17,19H2,1H3,(H,28,33)/p+1