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

Systemtic Name: 2-(1-methylpyrazol-4-yl)ethyl-[[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-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C20H32N4O3+2 MolecularWeight: 376.49308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CN1C=C(C=N1)CC[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H30N4O3/c1-23-14-18(13-22-23)5-6-21-12-17-3-2-4-20(11-17)27-16-19(25)15-24-7-9-26-10-8-24/h2-4,11,13-14,19,21,25H,5-10,12,15-16H2,1H3/p+2/t19-/m0/s1