2-[[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-oxidanylidene-3-phenyl-propanoyl]-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-oxidanylidene-3-phenyl-propanoyl]-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(2S)-2-(5-chloro-2-oxo-1-pyridyl)-3-oxo-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-1,3-dioxo-3-phenylpropyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(2S)-2-(5-chloro-2-oxopyridin-1-yl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(2S)-2-(5-chloro-2-keto-1-pyridyl)-3-keto-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C(C(=O)C2=CC=CC=C2)N3C=C(C=CC3=O)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)[C@H](C(=O)C2=CC=CC=C2)N3C=C(C=CC3=O)Cl

InChI

InChI=1S/C25H26ClN3O3/c1-27(2)15-16-28(17-19-9-5-3-6-10-19)25(32)23(24(31)20-11-7-4-8-12-20)29-18-21(26)13-14-22(29)30/h3-14,18,23H,15-17H2,1-2H3/p+1/t23-/m0/s1