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

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]nonan-1-one Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]nonan-1-one CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-1-nonanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]nonan-1-one Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]nonan-1-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3O3/c1-2-3-4-5-6-7-13-22(26)20-11-10-14-24(17-20)18-28-19-25-15-9-8-12-21(25)16-23-27/h8-12,14-17H,2-7,13,18-19H2,1H3/q+1/b21-16+