(3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-piperidyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidinyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-piperidyl]piperidin-1-ium-3-ol Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CN3CCC(CC3)[NH+]4CCCC(C4)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CN3CCC(CC3)[NH+]4CCC[C@@H](C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-33-26-11-5-7-21(17-26)27-22(19-31(28-27)24-8-3-2-4-9-24)18-29-15-12-23(13-16-29)30-14-6-10-25(32)20-30/h2-5,7-9,11,17,19,23,25,32H,6,10,12-16,18,20H2,1H3/p+1/t25-/m0/s1