(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propane-1,3-dione

Systemtic Name: (2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propane-1,3-dione Openeye Name: (2S)-2-(5-chloro-2-oxo-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propane-1,3-dione CAS Name: (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-methyl-1-piperazin-4-iumyl)-3-phenylpropane-1,3-dione IUPAC Name: (2S)-2-(5-chloro-2-oxopyridin-1-yl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenylpropane-1,3-dione Traditional Name: (2S)-2-(5-chloro-2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-propane-1,3-dione Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-21-9-11-22(12-10-21)19(26)17(18(25)14-5-3-2-4-6-14)23-13-15(20)7-8-16(23)24/h2-8,13,17H,9-12H2,1H3/p+1/t17-/m0/s1