[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium

Systemtic Name: [3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C20H30N4O3+2 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=CC=CC(=C2)C[NH2+]CCC3=NC=CN=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCC3=NC=CN=C3)O

InChI

InChI=1S/C20H28N4O3/c25-19(15-24-8-10-26-11-9-24)16-27-20-3-1-2-17(12-20)13-21-5-4-18-14-22-6-7-23-18/h1-3,6-7,12,14,19,21,25H,4-5,8-11,13,15-16H2/p+2/t19-/m0/s1