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

Systemtic Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c1-35-24-12-6-5-11-22(24)26-23(19-32(28-26)21-9-3-2-4-10-21)27(34)31-17-15-29(16-18-31)20-25(33)30-13-7-8-14-30/h2-6,9-12,19H,7-8,13-18,20H2,1H3/p+1