2-(1H-imidazol-5-yl)ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[2-(1H-imidazol-5-yl)ethyl]ammonium Formula: C20H32N4O3S+2 MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CN2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CN2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H30N4O3S/c1-26-20-10-16(11-21-5-4-17-12-22-15-23-17)2-3-19(20)27-14-18(25)13-24-6-8-28-9-7-24/h2-3,10,12,15,18,21,25H,4-9,11,13-14H2,1H3,(H,22,23)/p+2/t18-/m1/s1