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

Systemtic Name: [3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-(3-pyridylmethyl)ammonium Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=CC=CC(=C2)C[NH2+]CC3=CN=CC=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CC3=CN=CC=C3)O

InChI

InChI=1S/C20H27N3O3/c24-19(15-23-7-9-25-10-8-23)16-26-20-5-1-3-17(11-20)12-22-14-18-4-2-6-21-13-18/h1-6,11,13,19,22,24H,7-10,12,14-16H2/p+2/t19-/m0/s1