1-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-ol

Systemtic Name: 1-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-ol Openeye Name: 1-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-piperidyl]piperidin-1-ium-4-ol CAS Name: 1-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-piperidinyl]-4-piperidin-1-iumol IUPAC Name: 1-[1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-1-ium-4-ol Traditional Name: 1-[1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-piperidyl]piperidin-1-ium-4-ol Formula: C28H37N4O+ MolecularWeight: 445.61958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CCC(CC4)[NH+]5CCC(CC5)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CN4CCC(CC4)[NH+]5CCC(CC5)O

InChI

InChI=1S/C28H36N4O/c1-21-8-9-22(2)27(18-21)32-20-24(28(29-32)23-6-4-3-5-7-23)19-30-14-10-25(11-15-30)31-16-12-26(33)13-17-31/h3-9,18,20,25-26,33H,10-17,19H2,1-2H3/p+1