2-[[3-[(2-oxidanidylphenyl)methyl]-1,3-diazinane-1,3-diium-1-yl]methyl]phenolate

Systemtic Name: 2-[[3-[(2-oxidanidylphenyl)methyl]-1,3-diazinane-1,3-diium-1-yl]methyl]phenolate Openeye Name: 2-[[3-[(2-oxidophenyl)methyl]hexahydropyrimidine-1,3-diium-1-yl]methyl]phenolate CAS Name: 2-[[3-[(2-oxidophenyl)methyl]-1,3-diazinane-1,3-diium-1-yl]methyl]phenolate IUPAC Name: 2-[[3-[(2-oxidophenyl)methyl]-1,3-diazinane-1,3-diium-1-yl]methyl]phenolate Traditional Name: 2-[[3-(2-oxidobenzyl)hexahydropyrimidine-1,3-diium-1-yl]methyl]phenolate Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C[NH+](C1)CC2=CC=CC=C2[O-])CC3=CC=CC=C3[O-]

Isomeric SMILES

C1C[NH+](C[NH+](C1)CC2=CC=CC=C2[O-])CC3=CC=CC=C3[O-]

InChI

InChI=1S/C18H22N2O2/c21-17-8-3-1-6-15(17)12-19-10-5-11-20(14-19)13-16-7-2-4-9-18(16)22/h1-4,6-9,21-22H,5,10-14H2