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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-prop-2-enylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C18H30N2O3S+2 MolecularWeight: 354.5074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC=C)OCC(C[NH+]2CCSCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC=C)OC[C@@H](C[NH+]2CCSCC2)O

InChI

InChI=1S/C18H28N2O3S/c1-3-6-19-12-15-4-5-17(18(11-15)22-2)23-14-16(21)13-20-7-9-24-10-8-20/h3-5,11,16,19,21H,1,6-10,12-14H2,2H3/p+2/t16-/m1/s1