cyclohexyl-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclohexyl-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexyl-[2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]ammonium CAS Name: cyclohexyl-[2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]ammonium IUPAC Name: cyclohexyl-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: cyclohexyl-[2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl]ammonium Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH2+]C3CCCCC3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH2+]C3CCCCC3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H31N3O2/c1-33-25-15-13-21(14-16-25)27-18-26(23-12-11-20-7-5-6-8-22(20)17-23)30-31(27)28(32)19-29-24-9-3-2-4-10-24/h5-8,11-17,24,27,29H,2-4,9-10,18-19H2,1H3/p+1/t27-/m1/s1