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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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