[4-[(E)-C-methyl-N-(2-pyridin-1-ium-1-ylethanoylamino)carbonimidoyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-C-methyl-N-(2-pyridin-1-ium-1-ylethanoylamino)carbonimidoyl]phenyl] ethanoate Openeye Name: [4-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]phenyl] acetate CAS Name: acetic acid [4-[(1E)-1-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]phenyl] ester Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[N+]1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-13(15-6-8-16(9-7-15)23-14(2)21)18-19-17(22)12-20-10-4-3-5-11-20/h3-11H,12H2,1-2H3/p+1/b18-13+