8-bromanyl-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one bromide

Systemtic Name: 8-bromanyl-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one bromide Openeye Name: 8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one bromide CAS Name: 8-bromo-3-ethyl-6-methyl-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one bromide Traditional Name: 8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one bromide Formula: C18H25Br2NO2 MolecularWeight: 447.2046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC2=C(C=C(C=C2C1=O)C)Br)C[NH+]3CCCCC3.[Br-]

Isomeric SMILES

CCC1(COC2=C(C=C(C=C2C1=O)C)Br)C[NH+]3CCCCC3.[Br-]

InChI

InChI=1S/C18H24BrNO2.BrH/c1-3-18(11-20-7-5-4-6-8-20)12-22-16-14(17(18)21)9-13(2)10-15(16)19;/h9-10H,3-8,11-12H2,1-2H3;1H