3-imidazol-1-ylpropyl-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=CC=CC(=C2)C[NH2+]CCCN3C=CN=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCN3C=CN=C3)O

InChI

InChI=1S/C20H30N4O3/c25-19(15-23-9-11-26-12-10-23)16-27-20-4-1-3-18(13-20)14-21-5-2-7-24-8-6-22-17-24/h1,3-4,6,8,13,17,19,21,25H,2,5,7,9-12,14-16H2/p+2/t19-/m0/s1