2-(5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: 2-(5-nitro-2-oxo-1-pyridinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2-keto-5-nitro-1-pyridyl)acetamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c23-17(13-21-12-16(22(25)26)6-7-18(21)24)19-15-8-9-20(11-15)10-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,19,23)/p+1/t15-/m0/s1