4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(2-methylphenyl)methyl]piperidin-1-ium

Systemtic Name: 4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(2-methylphenyl)methyl]piperidin-1-ium Openeye Name: 4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-(o-tolylmethyl)piperidin-1-ium CAS Name: 4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(2-methylphenyl)methyl]piperidin-1-ium IUPAC Name: 4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-[(2-methylphenyl)methyl]piperidin-1-ium Traditional Name: 4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-methylbenzyl)piperidin-1-ium Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N3O/c1-17-6-3-4-7-20(17)16-26-12-10-18(11-13-26)23-22(15-24-25-23)19-8-5-9-21(14-19)27-2/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,24,25)/p+1