6-bromanyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 6-bromanyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-bromo-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 6-bromo-2-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-bromo-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 6-bromo-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C17H22BrN2O+ MolecularWeight: 350.27338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C17H21BrN2O/c1-11-4-3-7-20(9-11)10-15-12(2)19-16-6-5-13(18)8-14(16)17(15)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1