6-bromanyl-7,8-dimethyl-3-pyrrolidin-1-ium-1-yl-2,3-dihydrochromen-4-one chloride

Systemtic Name: 6-bromanyl-7,8-dimethyl-3-pyrrolidin-1-ium-1-yl-2,3-dihydrochromen-4-one chloride Openeye Name: 6-bromo-7,8-dimethyl-3-pyrrolidin-1-ium-1-yl-chroman-4-one chloride CAS Name: 6-bromo-7,8-dimethyl-3-(1-pyrrolidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-one chloride IUPAC Name: 6-bromo-7,8-dimethyl-3-pyrrolidin-1-ium-1-yl-2,3-dihydrochromen-4-one chloride Traditional Name: 6-bromo-7,8-dimethyl-3-pyrrolidin-1-ium-1-yl-chroman-4-one chloride Formula: C15H19BrClNO2 MolecularWeight: 360.67386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)C(COC2=C1C)[NH+]3CCCC3)Br.[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=O)C(COC2=C1C)[NH+]3CCCC3)Br.[Cl-]

InChI

InChI=1S/C15H18BrNO2.ClH/c1-9-10(2)15-11(7-12(9)16)14(18)13(8-19-15)17-5-3-4-6-17;/h7,13H,3-6,8H2,1-2H3;1H