4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(4-nitrobenzyl)piperidin-1-ium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-29-20-8-4-17(5-9-20)21-14-22(24-23-21)18-10-12-25(13-11-18)15-16-2-6-19(7-3-16)26(27)28/h2-9,14,18H,10-13,15H2,1H3,(H,23,24)/p+1