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

Systemtic Name: (4-methoxy-3-oxidanyl-phenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (3-hydroxy-4-methoxy-phenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (3-hydroxy-4-methoxyphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (3-hydroxy-4-methoxyphenyl)methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (3-hydroxy-4-methoxy-benzyl)-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C20H24N3O2+ MolecularWeight: 338.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=C(C=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-14(21-12-16-9-10-20(25-3)19(24)11-16)18-13-22-23(15(18)2)17-7-5-4-6-8-17/h4-11,13-14,21,24H,12H2,1-3H3/p+1/t14-/m0/s1