[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1,5-dimethyl-4-pyrazolyl)ethyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-vanillyl-ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC1=C(C=NN1C)[C@@H](C)[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C15H21N3O2/c1-10(13-9-17-18(3)11(13)2)16-8-12-5-6-14(19)15(7-12)20-4/h5-7,9-10,16,19H,8H2,1-4H3/p+1/t10-/m1/s1