6,8-bis(bromanyl)-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride

Systemtic Name: 6,8-bis(bromanyl)-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride Openeye Name: 6,8-dibromo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one chloride CAS Name: 6,8-dibromo-3-methyl-3-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one chloride IUPAC Name: 6,8-dibromo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride Traditional Name: 6,8-dibromo-3-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)chroman-4-one chloride Formula: C15H18Br2ClNO2 MolecularWeight: 439.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2C1=O)Br)Br)C[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CC1(COC2=C(C=C(C=C2C1=O)Br)Br)C[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C15H17Br2NO2.ClH/c1-15(8-18-4-2-3-5-18)9-20-13-11(14(15)19)6-10(16)7-12(13)17;/h6-7H,2-5,8-9H2,1H3;1H