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

Systemtic Name: [3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C21H31N3O4+2 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=CC=CC(=C2)C[NH2+]CCOC3=CN=CC=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCOC3=CN=CC=C3)O

InChI

InChI=1S/C21H29N3O4/c25-19(16-24-8-11-26-12-9-24)17-28-20-4-1-3-18(13-20)14-23-7-10-27-21-5-2-6-22-15-21/h1-6,13,15,19,23,25H,7-12,14,16-17H2/p+2/t19-/m0/s1