1-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-one

Systemtic Name: 1-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-one Openeye Name: 1-[2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperidin-1-ium-4-one CAS Name: 1-[2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-piperidin-1-iumone IUPAC Name: 1-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-1-ium-4-one Traditional Name: 1-[2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl]piperidin-1-ium-4-one Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCC(=O)CC3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCC(=O)CC3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H27N3O3/c1-33-24-10-8-20(9-11-24)26-17-25(22-7-6-19-4-2-3-5-21(19)16-22)28-30(26)27(32)18-29-14-12-23(31)13-15-29/h2-11,16,26H,12-15,17-18H2,1H3/p+1/t26-/m1/s1