[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [(1R)-isochroman-1-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [(1R)-isochroman-1-yl]methyl-(2,4,5-trimethoxybenzyl)ammonium Formula: C20H26NO4+ MolecularWeight: 344.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CC2C3=CC=CC=C3CCO2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]C[C@H]2C3=CC=CC=C3CCO2)OC)OC

InChI

InChI=1S/C20H25NO4/c1-22-17-11-19(24-3)18(23-2)10-15(17)12-21-13-20-16-7-5-4-6-14(16)8-9-25-20/h4-7,10-11,20-21H,8-9,12-13H2,1-3H3/p+1/t20-/m0/s1