(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocan-1-iumyl)-3-[2-methoxy-5-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Formula: C24H37N4O3+ MolecularWeight: 429.57558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCC2=NC=CN=C2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCC2=NC=CN=C2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H36N4O3/c1-30-23-8-7-20(16-25-10-9-21-17-26-11-12-27-21)15-24(23)31-19-22(29)18-28-13-5-3-2-4-6-14-28/h7-8,11-12,15,17,22,25,29H,2-6,9-10,13-14,16,18-19H2,1H3/p+1/t22-/m1/s1