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

Systemtic Name: [(3R)-3-phenethyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-phenethyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-phenethyl-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-phenethyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-phenethyl-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methanol Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C24H29N3O/c28-20-24(14-12-21-6-2-1-3-7-21)13-4-16-26(19-24)18-22-8-10-23(11-9-22)27-17-5-15-25-27/h1-3,5-11,15,17,28H,4,12-14,16,18-20H2/p+1/t24-/m0/s1