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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(C)[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCN1C=CC(=N1)[C@H](C)[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C15H21N3O2/c1-4-18-8-7-13(17-18)11(2)16-10-12-5-6-14(19)15(9-12)20-3/h5-9,11,16,19H,4,10H2,1-3H3/p+1/t11-/m0/s1