(1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C26H27N4O+ MolecularWeight: 411.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O/c1-29(20-25(31)27-17-21-11-5-2-6-12-21)18-23-19-30(24-15-9-4-10-16-24)28-26(23)22-13-7-3-8-14-22/h2-16,19H,17-18,20H2,1H3,(H,27,31)/p+1