(4R)-8-bromanyl-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol

Systemtic Name: (4R)-8-bromanyl-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol Openeye Name: (4R)-8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol CAS Name: (4R)-8-bromo-6-methyl-3,3-bis(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (4R)-8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol Traditional Name: (4R)-8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol Formula: C20H31BrN2O2+2 MolecularWeight: 411.37634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(C(CO2)(C[NH+]3CCCC3)C[NH+]4CCCC4)O)Br

Isomeric SMILES

CC1=CC(=C2C(=C1)[C@@H](C(CO2)(C[NH+]3CCCC3)C[NH+]4CCCC4)O)Br

InChI

InChI=1S/C20H29BrN2O2/c1-15-10-16-18(17(21)11-15)25-14-20(19(16)24,12-22-6-2-3-7-22)13-23-8-4-5-9-23/h10-11,19,24H,2-9,12-14H2,1H3/p+2/t19-/m0/s1