ethyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: ethyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: ethyl-[[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[[3-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: ethyl-[[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: ethyl-[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CC(=CC=C2)OC[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C21H32N4O3/c1-2-23(9-10-25-8-4-7-22-25)16-19-5-3-6-21(15-19)28-18-20(26)17-24-11-13-27-14-12-24/h3-8,15,20,26H,2,9-14,16-18H2,1H3/p+2/t20-/m1/s1