3-methyl-1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]butan-1-one Openeye Name: 3-methyl-1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-4-yl]butan-1-one CAS Name: 3-methyl-1-[1-[[(2E)-2-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-4-pyridin-1-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[1-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridin-1-ium-4-yl]butan-1-one Traditional Name: 3-methyl-1-[1-[[(2E)-2-(nitrosomethylene)-1-pyridyl]methoxymethyl]pyridin-1-ium-4-yl]butan-1-one Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N3O3/c1-15(2)11-18(22)16-6-9-20(10-7-16)13-24-14-21-8-4-3-5-17(21)12-19-23/h3-10,12,15H,11,13-14H2,1-2H3/q+1/b17-12+