(3-methoxy-4-oxidanyl-phenyl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-(3-oxidanylpropyl)azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-(3-hydroxypropyl)ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-(3-hydroxypropyl)ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(3-hydroxypropyl)azanium Traditional Name: 3-hydroxypropyl(vanillyl)ammonium Formula: C11H18NO3+ MolecularWeight: 212.26552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCO)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCO)O

InChI

InChI=1S/C11H17NO3/c1-15-11-7-9(3-4-10(11)14)8-12-5-2-6-13/h3-4,7,12-14H,2,5-6,8H2,1H3/p+1