5-[(3-azanyl-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxy-phenol

Systemtic Name: 5-[(3-azanyl-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxy-phenol Openeye Name: 5-[(3-amino-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxy-phenol CAS Name: 5-[(3-amino-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxyphenol IUPAC Name: 5-[(3-amino-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxyphenol Traditional Name: 5-[(3-amino-2-methyl-1H-pyrazol-2-ium-4-yl)methyl]-2-methoxy-phenol Formula: C12H16N3O2+ MolecularWeight: 234.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=CC(=C(C=C2)OC)O)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=CC(=C(C=C2)OC)O)N

InChI

InChI=1S/C12H15N3O2/c1-15-12(13)9(7-14-15)5-8-3-4-11(17-2)10(16)6-8/h3-4,6-7H,5H2,1-2H3,(H3,13,14,16)/p+1