(3S)-6,8-bis(bromanyl)-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3S)-6,8-bis(bromanyl)-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3S)-6,8-dibromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(1-piperidylmethyl)chroman-4-one CAS Name: (3S)-6,8-dibromo-7-methyl-3-(1-piperidin-1-iumylmethyl)-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6,8-dibromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3S)-6,8-dibromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(piperidinomethyl)chroman-4-one Formula: C22H31Br2N2O2+ MolecularWeight: 515.30174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCCCC3)CN4CCCCC4)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OC[C@@](C2=O)(C[NH+]3CCCCC3)CN4CCCCC4)Br

InChI

InChI=1S/C22H30Br2N2O2/c1-16-18(23)12-17-20(19(16)24)28-15-22(21(17)27,13-25-8-4-2-5-9-25)14-26-10-6-3-7-11-26/h12H,2-11,13-15H2,1H3/p+1