N-methyl-1-oxidanidyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-1-ium-2-carboxamide

Systemtic Name: N-methyl-1-oxidanidyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-1-ium-2-carboxamide Openeye Name: N-methyl-1-oxido-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-1-ium-2-carboxamide CAS Name: N-methyl-1-oxido-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-1-oxido-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-1-ium-2-carboxamide Traditional Name: N-methyl-1-oxido-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-1-ium-2-carboxamide Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N5O2/c1-13(20(2)17(23)16-5-3-4-10-22(16)24)14-6-8-15(9-7-14)21-12-18-11-19-21/h3-13H,1-2H3