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

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[(5R)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone Formula: C29H34N3O2+ MolecularWeight: 456.59916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCCCCCC3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCCCCCC3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H33N3O2/c1-34-26-15-13-23(14-16-26)28-20-27(25-12-11-22-9-5-6-10-24(22)19-25)30-32(28)29(33)21-31-17-7-3-2-4-8-18-31/h5-6,9-16,19,28H,2-4,7-8,17-18,20-21H2,1H3/p+1/t28-/m1/s1