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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CN1C=CN=C1C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C20H30N4O3S/c1-23-6-5-22-20(23)13-21-12-16-3-4-18(19(11-16)26-2)27-15-17(25)14-24-7-9-28-10-8-24/h3-6,11,17,21,25H,7-10,12-15H2,1-2H3/p+2/t17-/m1/s1