[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: [5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O3/c1-26-12-13-27(20(15-26)17-8-4-3-5-9-17)23(28)19-14-18(24-25-19)16-30-22-11-7-6-10-21(22)29-2/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,24,25)/p+1/t20-/m1/s1