2-(azocan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[(3R)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[(5R)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N2[C@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-28(21-30-17-9-2-1-3-10-18-30)31-27(23-12-5-4-6-13-23)20-26(29-31)25-16-15-22-11-7-8-14-24(22)19-25/h4-8,11-16,19,27H,1-3,9-10,17-18,20-21H2/p+1/t27-/m1/s1