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

Systemtic Name: cyclobutyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: cyclobutyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclobutyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclobutyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclobutyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C19H32N2O3S+2 MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCC2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCC2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C19H30N2O3S/c1-23-19-11-15(12-20-16-3-2-4-16)5-6-18(19)24-14-17(22)13-21-7-9-25-10-8-21/h5-6,11,16-17,20,22H,2-4,7-10,12-14H2,1H3/p+2/t17-/m1/s1