1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]octan-1-one

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]octan-1-one Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]octan-1-one CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-1-octanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]octan-1-one Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]octan-1-one Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C[N+](=CC=C1)COCN2C=CC=CC2=CN=O

Isomeric SMILES

CCCCCCCC(=O)C1=C[N+](=CC=C1)COCN\2C=CC=C/C2=C\N=O

InChI

InChI=1S/C21H28N3O3/c1-2-3-4-5-6-12-21(25)19-10-9-13-23(16-19)17-27-18-24-14-8-7-11-20(24)15-22-26/h7-11,13-16H,2-6,12,17-18H2,1H3/q+1/b20-15+