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

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C28H34N5O3+ MolecularWeight: 488.60126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)CC5=CC=CC=C5

InChI

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