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

Systemtic Name: ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C23H35N3O3S+2 MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-3-25(15-19-6-8-24-9-7-19)16-20-4-5-22(23(14-20)28-2)29-18-21(27)17-26-10-12-30-13-11-26/h4-9,14,21,27H,3,10-13,15-18H2,1-2H3/p+2/t21-/m1/s1