N-[3-[[(2Z)-2-hydroxyimino-2-phenyl-ethanoyl]amino]propyl]-1-methyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[3-[[(2Z)-2-hydroxyimino-2-phenyl-ethanoyl]amino]propyl]-1-methyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[3-[[(2Z)-2-hydroxyimino-2-phenyl-acetyl]amino]propyl]-1-methyl-pyridin-1-ium-4-carboxamide CAS Name: N-[3-[[(2Z)-2-hydroxyimino-1-oxo-2-phenylethyl]amino]propyl]-1-methyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]propyl]-1-methylpyridin-1-ium-4-carboxamide Traditional Name: N-[3-[[(2Z)-2-hydroximino-2-phenyl-acetyl]amino]propyl]-1-methyl-pyridin-1-ium-4-carboxamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)NCCCNC(=O)C(=NO)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)NCCCNC(=O)/C(=N\O)/C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O3/c1-22-12-8-15(9-13-22)17(23)19-10-5-11-20-18(24)16(21-25)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H2-,19,20,23,24,25)/p+1