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

Systemtic Name: (2R)-1-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCC2=NC=CN=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCC2=NC=CN=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H32N4O3/c1-28-21-6-5-18(14-23-8-7-19-15-24-9-10-25-19)13-22(21)29-17-20(27)16-26-11-3-2-4-12-26/h5-6,9-10,13,15,20,23,27H,2-4,7-8,11-12,14,16-17H2,1H3/p+1/t20-/m1/s1