(3R)-6-bromanyl-7,8-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,3-dihydrochromen-4-one

Systemtic Name: (3R)-6-bromanyl-7,8-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,3-dihydrochromen-4-one Openeye Name: (3R)-6-bromo-7,8-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]chroman-4-one CAS Name: (3R)-6-bromo-7,8-dimethyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-bromo-7,8-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,3-dihydrochromen-4-one Traditional Name: (3R)-6-bromo-7,8-dimethyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]chroman-4-one Formula: C17H23BrNO2+ MolecularWeight: 353.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2COC3=C(C(=C(C=C3C2=O)Br)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H]2COC3=C(C(=C(C=C3C2=O)Br)C)C

InChI

InChI=1S/C17H22BrNO2/c1-10-5-4-6-19(8-10)15-9-21-17-12(3)11(2)14(18)7-13(17)16(15)20/h7,10,15H,4-6,8-9H2,1-3H3/p+1/t10-,15+/m0/s1