(3-methoxy-4-oxidanyl-phenyl)methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (1-methylpyrazol-4-yl)methyl-vanillyl-ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C13H17N3O2/c1-16-9-11(8-15-16)7-14-6-10-3-4-12(17)13(5-10)18-2/h3-5,8-9,14,17H,6-7H2,1-2H3/p+1