1-oxidanidyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H16N4O3/c1-2-9-17-16(22)19-14-7-5-13(6-8-14)18-15(21)12-4-3-10-20(23)11-12/h2-8,10-11H,1,9H2,(H,18,21)(H2,17,19,22)