[4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-(4-pyrimidylmethyl)ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC)CC3=NC=NC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC)CC3=NC=NC=C3

InChI

InChI=1S/C24H36N4O3/c1-27(16-21-10-11-25-19-26-21)15-20-8-9-23(24(14-20)30-2)31-18-22(29)17-28-12-6-4-3-5-7-13-28/h8-11,14,19,22,29H,3-7,12-13,15-18H2,1-2H3/p+2/t22-/m1/s1