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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(4-chlorobenzyl)-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)[N+]3(CCCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)[N+]3(CCCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN3O/c1-27-20-11-7-18(8-12-20)21-15-22(25-24-21)26(13-3-2-4-14-26)16-17-5-9-19(23)10-6-17/h5-12,15H,2-4,13-14,16H2,1H3,(H,24,25)/q+1