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

Systemtic Name: ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: ethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C22H36N4O3S+2 MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C22H34N4O3S/c1-3-24(9-10-26-8-4-7-23-26)16-19-5-6-21(22(15-19)28-2)29-18-20(27)17-25-11-13-30-14-12-25/h4-8,15,20,27H,3,9-14,16-18H2,1-2H3/p+2/t20-/m1/s1