[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C21H28N4O2S+2 MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H26N4O2S/c26-19(16-24-8-10-27-11-9-24)14-22-13-17-15-25(18-5-2-1-3-6-18)23-21(17)20-7-4-12-28-20/h1-7,12,15,19,22,26H,8-11,13-14,16H2/p+2/t19-/m1/s1