[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(3-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(3-phenylmethoxyphenyl)methyl]azanium Openeye Name: (3-benzyloxyphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: [(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-[(3-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-[(3-phenylmethoxyphenyl)methyl]azanium Traditional Name: (3-benzoxybenzyl)-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C26H28N3O+ MolecularWeight: 398.52002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-20(26-18-28-29(21(26)2)24-13-7-4-8-14-24)27-17-23-12-9-15-25(16-23)30-19-22-10-5-3-6-11-22/h3-16,18,20,27H,17,19H2,1-2H3/p+1/t20-/m0/s1