(2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)-3-phenyl-propane-1,3-dione

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)-3-phenyl-propane-1,3-dione Openeye Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxo-1-pyridyl)-3-phenyl-propane-1,3-dione CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxopyridin-1-yl)-3-phenylpropane-1,3-dione Traditional Name: (2S)-2-(2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propane-1,3-dione Formula: C19H22N3O3+ MolecularWeight: 340.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)C2=CC=CC=C2)N3C=CC=CC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C(=O)C2=CC=CC=C2)N3C=CC=CC3=O

InChI

InChI=1S/C19H21N3O3/c1-20-11-13-21(14-12-20)19(25)17(22-10-6-5-9-16(22)23)18(24)15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/p+1/t17-/m0/s1