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

Systemtic Name: 8-bromanyl-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol dichloride Openeye Name: 8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol dichloride CAS Name: 8-bromo-6-methyl-3,3-bis(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol dichloride IUPAC Name: 8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol dichloride Traditional Name: 8-bromo-6-methyl-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol dichloride Formula: C20H31BrCl2N2O2 MolecularWeight: 482.28234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29BrN2O2.2ClH/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;2*1H