[4-(phenylmethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-(phenylmethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-(phenylmethyl)-1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-4-yl]methanol Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H27N3O/c27-19-23(17-20-6-2-1-3-7-20)10-14-25(15-11-23)18-21-8-4-9-22(16-21)26-13-5-12-24-26/h1-9,12-13,16,27H,10-11,14-15,17-19H2/p+1