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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)OC

InChI

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