2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)pyridin-1-ium-3-carboxamide CAS Name: 2-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)pyridin-1-ium-3-carboxamide Formula: C18H17N4O2+ MolecularWeight: 321.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1ON=C2C3=CC=CC=C3)C4=C(C=CC=[NH+]4)C(=O)N

Isomeric SMILES

C1CN(CC2=C1ON=C2C3=CC=CC=C3)C4=C(C=CC=[NH+]4)C(=O)N

InChI

InChI=1S/C18H16N4O2/c19-17(23)13-7-4-9-20-18(13)22-10-8-15-14(11-22)16(21-24-15)12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H2,19,23)/p+1