(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[2-(2-methoxyphenyl)-5-pyrimidinyl]methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CCC(C(C3)O)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NC=C(C=N2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3/c1-27-20-5-3-2-4-17(20)21-22-12-16(13-23-21)14-24-7-6-18(19(26)15-24)25-8-10-28-11-9-25/h2-5,12-13,18-19,26H,6-11,14-15H2,1H3/p+2/t18-,19-/m1/s1