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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-27-17-18-6-5-13-26(15-18)16-22-14-24-25-23(22)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h2-4,7-12,14,18H,5-6,13,15-17H2,1H3,(H,24,25)/p+1/t18-/m0/s1