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

Systemtic Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]butan-1-one Openeye Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]butan-1-one CAS Name: 1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-3-pyridin-1-iumyl]-1-butanone IUPAC Name: 1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-3-yl]butan-1-one Traditional Name: 1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-3-yl]butan-1-one Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N3O3/c1-2-6-17(21)15-7-5-9-19(12-15)13-23-14-20-10-4-3-8-16(20)11-18-22/h3-5,7-12H,2,6,13-14H2,1H3/q+1/b16-11+