1-[5-(4-methoxyphenyl)-1-oxidanidyl-1,3,5-triazine-1,5-diium-2-yl]butan-2-one

Systemtic Name: 1-[5-(4-methoxyphenyl)-1-oxidanidyl-1,3,5-triazine-1,5-diium-2-yl]butan-2-one Openeye Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]butan-2-one CAS Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]-2-butanone IUPAC Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]butan-2-one Traditional Name: 1-[5-(4-methoxyphenyl)-1-oxido-s-triazine-1,5-diium-2-yl]butan-2-one Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=[N+](C=[N+](C=N1)C2=CC=C(C=C2)OC)[O-]

Isomeric SMILES

CCC(=O)CC1=[N+](C=[N+](C=N1)C2=CC=C(C=C2)OC)[O-]

InChI

InChI=1S/C14H16N3O3/c1-3-12(18)8-14-15-9-16(10-17(14)19)11-4-6-13(20-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3/q+1