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

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]heptan-1-one Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]heptan-1-one CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-1-heptanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]heptan-1-one Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]heptan-1-one Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N3O3/c1-2-3-4-5-11-20(24)18-9-8-12-22(15-18)16-26-17-23-13-7-6-10-19(23)14-21-25/h6-10,12-15H,2-5,11,16-17H2,1H3/q+1/b19-14+