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

Systemtic Name: ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: ethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: benzyl-ethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C24H36N2O3S+2 MolecularWeight: 432.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C24H34N2O3S/c1-3-25(16-20-7-5-4-6-8-20)17-21-9-10-23(24(15-21)28-2)29-19-22(27)18-26-11-13-30-14-12-26/h4-10,15,22,27H,3,11-14,16-19H2,1-2H3/p+2/t22-/m1/s1