[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azanium

Systemtic Name: [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azanium Openeye Name: [(3R)-8-methoxychroman-3-yl]-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]ammonium CAS Name: [(3R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azanium Traditional Name: [(3R)-8-methoxychroman-3-yl]-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH2+]C3CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH2+][C@@H]3CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C22H23N3O3/c1-26-19-8-6-16(7-9-19)22-24-12-15(13-25-22)11-23-18-10-17-4-3-5-20(27-2)21(17)28-14-18/h3-9,12-13,18,23H,10-11,14H2,1-2H3/p+1/t18-/m1/s1