6-bromanyl-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)-2,4-dihydrochromen-4-ol dibromide

Systemtic Name: 6-bromanyl-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)-2,4-dihydrochromen-4-ol dibromide Openeye Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)chroman-4-ol dibromide CAS Name: 6-bromo-7-methyl-3-(4-morpholin-4-iumyl)-3-(4-morpholin-4-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol dibromide IUPAC Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)-2,4-dihydrochromen-4-ol dibromide Traditional Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)chroman-4-ol dibromide Formula: C19H29Br3N2O4 MolecularWeight: 589.15656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(C(COC2=C1)(C[NH+]3CCOCC3)[NH+]4CCOCC4)O)Br.[Br-].[Br-]

Isomeric SMILES

CC1=C(C=C2C(C(COC2=C1)(C[NH+]3CCOCC3)[NH+]4CCOCC4)O)Br.[Br-].[Br-]

InChI

InChI=1S/C19H27BrN2O4.2BrH/c1-14-10-17-15(11-16(14)20)18(23)19(13-26-17,22-4-8-25-9-5-22)12-21-2-6-24-7-3-21;;/h10-11,18,23H,2-9,12-13H2,1H3;2*1H