4-[(6-bromanyl-1,3-benzodioxol-5-yl)-morpholin-4-ium-4-yl-methyl]morpholin-4-ium

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)-morpholin-4-ium-4-yl-methyl]morpholin-4-ium Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)-morpholin-4-ium-4-yl-methyl]morpholin-4-ium CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)-(4-morpholin-4-iumyl)methyl]morpholin-4-ium IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)-morpholin-4-ium-4-ylmethyl]morpholin-4-ium Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)-morpholin-4-ium-4-yl-methyl]morpholin-4-ium Formula: C16H23BrN2O4+2 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC3=C(C=C2Br)OCO3)[NH+]4CCOCC4

Isomeric SMILES

C1COCC[NH+]1C(C2=CC3=C(C=C2Br)OCO3)[NH+]4CCOCC4

InChI

InChI=1S/C16H21BrN2O4/c17-13-10-15-14(22-11-23-15)9-12(13)16(18-1-5-20-6-2-18)19-3-7-21-8-4-19/h9-10,16H,1-8,11H2/p+2