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

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[(3R)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-[(3R)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[(5R)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2[C@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O/c1-20-9-7-8-16-29(20)19-27(31)30-26(22-11-3-2-4-12-22)18-25(28-30)24-15-14-21-10-5-6-13-23(21)17-24/h2-6,10-15,17,20,26H,7-9,16,18-19H2,1H3/p+1/t20-,26+/m0/s1