methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3R)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-[(3R)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(5R)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C30H30N3OS+ MolecularWeight: 480.6437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3OS/c1-32(20-22-12-16-27(35-2)17-13-22)21-30(34)33-29(24-9-4-3-5-10-24)19-28(31-33)26-15-14-23-8-6-7-11-25(23)18-26/h3-19,29,31H,20-21H2,1-2H3/p+1/t29-/m1/s1