(2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-[3-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC(=C2)CNCCC3=NC=CN=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=NC=CN=C3)O

InChI

InChI=1S/C22H32N4O2/c27-21(17-26-12-3-1-2-4-13-26)18-28-22-7-5-6-19(14-22)15-23-9-8-20-16-24-10-11-25-20/h5-7,10-11,14,16,21,23,27H,1-4,8-9,12-13,15,17-18H2/p+1/t21-/m0/s1