(3-ethoxy-4-phenylmethoxy-phenyl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[[(2S)-2-oxolanyl]methyl]ammonium IUPAC Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2CCCO2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C[C@@H]2CCCO2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3/c1-2-23-21-13-18(14-22-15-19-9-6-12-24-19)10-11-20(21)25-16-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19,22H,2,6,9,12,14-16H2,1H3/p+1/t19-/m0/s1