2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C28H34N5O3+ MolecularWeight: 488.60126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O3/c1-36-25-13-7-6-12-23(25)27-24(20-33(29-27)22-10-4-2-5-11-22)28(35)32-18-16-30(17-19-32)21-26(34)31-14-8-3-9-15-31/h2,4-7,10-13,20H,3,8-9,14-19,21H2,1H3/p+1