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

Systemtic Name: 6-bromanyl-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)-2,4-dihydrochromen-4-ol Openeye Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)chroman-4-ol CAS Name: 6-bromo-7-methyl-3-(4-morpholin-4-iumyl)-3-(4-morpholin-4-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)-2,4-dihydrochromen-4-ol Traditional Name: 6-bromo-7-methyl-3-morpholin-4-ium-4-yl-3-(morpholin-4-ium-4-ylmethyl)chroman-4-ol Formula: C19H29BrN2O4+2 MolecularWeight: 429.34856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN2O4/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/p+2