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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O/c1-17-5-9-19(10-6-17)22-14-24-25-23(22)20-4-3-13-26(16-20)15-18-7-11-21(27-2)12-8-18/h5-12,14,20H,3-4,13,15-16H2,1-2H3,(H,24,25)/p+1/t20-/m0/s1