1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-2-phenyl-ethanone

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-2-phenyl-ethanone Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]-2-phenyl-ethanone CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-2-phenylethanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-2-phenylethanone Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]-2-phenyl-ethanone Formula: C21H20N3O3+ MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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