1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-carboxylate

Systemtic Name: 1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-carboxylate Openeye Name: 1,3-dibenzylhexahydropyrimidine-1,3-diium-2-carboxylate CAS Name: 1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium-2-carboxylate IUPAC Name: 1,3-dibenzyl-1,3-diazinane-1,3-diium-2-carboxylate Traditional Name: 1,3-dibenzylhexahydropyrimidine-1,3-diium-2-carboxylate Formula: C19H23N2O2+ MolecularWeight: 311.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c22-19(23)18-20(14-16-8-3-1-4-9-16)12-7-13-21(18)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,23)/p+1