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

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-[(3R)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-[(3R)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[(5R)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethyl]-methyl-ammonium Formula: C29H27BrN3O+ MolecularWeight: 513.44818

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26BrN3O/c1-32(19-21-11-15-26(30)16-12-21)20-29(34)33-28(23-8-3-2-4-9-23)18-27(31-33)25-14-13-22-7-5-6-10-24(22)17-25/h2-18,28,31H,19-20H2,1H3/p+1/t28-/m1/s1