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

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]pentan-1-one Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]pentan-1-one CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-1-pentanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]pentan-1-one Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]pentan-1-one Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N3O3/c1-2-3-9-18(22)16-7-6-10-20(13-16)14-24-15-21-11-5-4-8-17(21)12-19-23/h4-8,10-13H,2-3,9,14-15H2,1H3/q+1/b17-12+