[3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-(4-pyrimidylmethyl)ammonium Formula: C21H32N4O4+2 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCOCC2)O)OC)CC3=NC=NC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCOCC2)O)OC)CC3=NC=NC=C3

InChI

InChI=1S/C21H30N4O4/c1-24(13-18-5-6-22-16-23-18)12-17-3-4-20(21(11-17)27-2)29-15-19(26)14-25-7-9-28-10-8-25/h3-6,11,16,19,26H,7-10,12-15H2,1-2H3/p+2/t19-/m1/s1