2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[[3-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl]-methylammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl]-methylazanium Traditional Name: benzofurazan-5-ylmethyl-[3-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-methyl-ammonium Formula: C22H30N4O4+2 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC(C[NH+]2CCOCC2)O)CC3=CC4=NON=C4C=C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCOCC2)O)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H28N4O4/c1-25(14-18-5-6-21-22(12-18)24-30-23-21)13-17-3-2-4-20(11-17)29-16-19(27)15-26-7-9-28-10-8-26/h2-6,11-12,19,27H,7-10,13-16H2,1H3/p+2/t19-/m1/s1