N-[cyano(phenyl)methyl]-1-oxidanidyl-quinolin-1-ium-2-carboxamide

Systemtic Name: N-[cyano(phenyl)methyl]-1-oxidanidyl-quinolin-1-ium-2-carboxamide Openeye Name: N-[cyano(phenyl)methyl]-1-oxido-quinolin-1-ium-2-carboxamide CAS Name: N-[cyano(phenyl)methyl]-1-oxido-2-quinolin-1-iumcarboxamide IUPAC Name: N-[cyano(phenyl)methyl]-1-oxidoquinolin-1-ium-2-carboxamide Traditional Name: N-[cyano(phenyl)methyl]-1-oxido-quinolin-1-ium-2-carboxamide Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)NC(=O)C2=[N+](C3=CC=CC=C3C=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)NC(=O)C2=[N+](C3=CC=CC=C3C=C2)[O-]

InChI

InChI=1S/C18H13N3O2/c19-12-15(13-6-2-1-3-7-13)20-18(22)17-11-10-14-8-4-5-9-16(14)21(17)23/h1-11,15H,(H,20,22)