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

Systemtic Name: [3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-(3-pyrazol-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=CC=N3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

InChI

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