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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O/c1-11-5-3-4-8-20(11)10-15-12(2)19-16-7-6-13(18)9-14(16)17(15)21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1