[4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[(3R)-8-methoxychroman-3-yl]ammonium CAS Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[(3R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: [4-ethoxy-3-(hydroxymethyl)phenyl]methyl-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (4-ethoxy-3-methylol-benzyl)-[(3R)-8-methoxychroman-3-yl]ammonium Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+][C@@H]2CC3=C(C(=CC=C3)OC)OC2)CO

InChI

InChI=1S/C20H25NO4/c1-3-24-18-8-7-14(9-16(18)12-22)11-21-17-10-15-5-4-6-19(23-2)20(15)25-13-17/h4-9,17,21-22H,3,10-13H2,1-2H3/p+1/t17-/m1/s1