[(3S)-3-(2-phenoxyethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(2-phenoxyethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-(2-phenoxyethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(2-phenoxyethyl)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-(2-phenoxyethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methanol Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)(CCOC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC(=CC=C2)N3C=CC=N3)(CCOC4=CC=CC=C4)CO

InChI

InChI=1S/C24H29N3O2/c28-20-24(12-16-29-23-9-2-1-3-10-23)11-5-14-26(19-24)18-21-7-4-8-22(17-21)27-15-6-13-25-27/h1-4,6-10,13,15,17,28H,5,11-12,14,16,18-20H2/p+1/t24-/m0/s1