3-(furan-2-ylmethoxy)propyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 3-(furan-2-ylmethoxy)propyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 3-(2-furylmethoxy)propyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 3-(2-furanylmethoxy)propyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 3-(furan-2-ylmethoxy)propyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 3-(2-furfuryloxy)propyl-vanillyl-ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCOCC2=CC=CO2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCOCC2=CC=CO2)O

InChI

InChI=1S/C16H21NO4/c1-19-16-10-13(5-6-15(16)18)11-17-7-3-8-20-12-14-4-2-9-21-14/h2,4-6,9-10,17-18H,3,7-8,11-12H2,1H3/p+1