1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]-2-phenyl-ethanone

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]-2-phenyl-ethanone Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-4-yl]-2-phenyl-ethanone CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-4-pyridin-1-iumyl]-2-phenylethanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]-2-phenylethanone Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-4-yl]-2-phenyl-ethanone Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=CC=[N+](C=C2)COCN3C=CC=CC3=CN=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=[N+](C=C2)COCN\3C=CC=C/C3=C\N=O

InChI

InChI=1S/C21H20N3O3/c25-21(14-18-6-2-1-3-7-18)19-9-12-23(13-10-19)16-27-17-24-11-5-4-8-20(24)15-22-26/h1-13,15H,14,16-17H2/q+1/b20-15+