2-(1-methylimidazol-2-yl)sulfanylethyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C20H32N4O3S+2 MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=CC(=CC=C2)OC[C@@H](C[NH+]3CCOCC3)O

InChI

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