[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylazanium

Systemtic Name: [1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylazanium Openeye Name: [3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]methylammonium IUPAC Name: [1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylazanium Traditional Name: [3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylammonium Formula: C19H22N3O+ MolecularWeight: 308.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O/c1-14(2)23-18-10-8-15(9-11-18)19-16(12-20)13-22(21-19)17-6-4-3-5-7-17/h3-11,13-14H,12,20H2,1-2H3/p+1