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

Systemtic Name: 1-[5-(4-methoxyphenyl)-1-oxidanidyl-1,3,5-triazine-1,5-diium-2-yl]-3-methyl-butan-2-one Openeye Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]-3-methyl-butan-2-one CAS Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]-3-methyl-2-butanone IUPAC Name: 1-[5-(4-methoxyphenyl)-1-oxido-1,3,5-triazine-1,5-diium-2-yl]-3-methylbutan-2-one Traditional Name: 1-[5-(4-methoxyphenyl)-1-oxido-s-triazine-1,5-diium-2-yl]-3-methyl-butan-2-one Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O3/c1-11(2)14(19)8-15-16-9-17(10-18(15)20)12-4-6-13(21-3)7-5-12/h4-7,9-11H,8H2,1-3H3/q+1