methyl-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl]-methyl-ammonium Formula: C29H28N3O+ MolecularWeight: 434.55212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O/c1-31(20-22-10-4-2-5-11-22)21-29(33)32-28(24-13-6-3-7-14-24)19-27(30-32)26-17-16-23-12-8-9-15-25(23)18-26/h2-18,28H,19-21H2,1H3/p+1/t28-/m0/s1