N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H17N3O3/c21-16(14-2-1-9-20(23)11-14)18-10-12-3-7-15(8-4-12)19-17(22)13-5-6-13/h1-4,7-9,11,13H,5-6,10H2,(H,18,21)(H,19,22)