(3-methoxy-4-oxidanyl-phenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]-vanillyl-ammonium Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCC3=C2C=CO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+][C@H]2CCCC3=C2C=CO3)O

InChI

InChI=1S/C16H19NO3/c1-19-16-9-11(5-6-14(16)18)10-17-13-3-2-4-15-12(13)7-8-20-15/h5-9,13,17-18H,2-4,10H2,1H3/p+1/t13-/m0/s1