3-imidazol-1-ylpropyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: 3-imidazol-1-ylpropyl(vanillyl)ammonium Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)O

InChI

InChI=1S/C14H19N3O2/c1-19-14-9-12(3-4-13(14)18)10-15-5-2-7-17-8-6-16-11-17/h3-4,6,8-9,11,15,18H,2,5,7,10H2,1H3/p+1