5-nitro-1-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one

Systemtic Name: 5-nitro-1-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one Openeye Name: 5-nitro-1-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one CAS Name: 5-nitro-1-[2-oxo-2-[4-[(1S)-1-phenylethyl]-1-piperazin-4-iumyl]ethyl]-2-pyridinone IUPAC Name: 5-nitro-1-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]pyridin-2-one Traditional Name: 1-[2-keto-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]-5-nitro-2-pyridone Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-15(16-5-3-2-4-6-16)20-9-11-21(12-10-20)19(25)14-22-13-17(23(26)27)7-8-18(22)24/h2-8,13,15H,9-12,14H2,1H3/p+1/t15-/m0/s1