[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[(1R)-1-phenylethyl]ammonium Formula: C25H26N3O+ MolecularWeight: 384.49344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O/c1-19(20-9-5-3-6-10-20)26-17-22-18-28(2)27-25(22)21-13-15-24(16-14-21)29-23-11-7-4-8-12-23/h3-16,18-19,26H,17H2,1-2H3/p+1/t19-/m1/s1