1-(phenylmethyl)-1,2-diazinan-1-ium-1,3-dicarboxylic acid

Systemtic Name: 1-(phenylmethyl)-1,2-diazinan-1-ium-1,3-dicarboxylic acid Openeye Name: 1-benzylhexahydropyridazin-1-ium-1,3-dicarboxylic acid CAS Name: 1-(phenylmethyl)diazinan-1-ium-1,3-dicarboxylic acid IUPAC Name: 1-benzyldiazinan-1-ium-1,3-dicarboxylic acid Traditional Name: 1-benzylhexahydropyridazin-1-ium-1,3-dicarboxylic acid Formula: C13H17N2O4+ MolecularWeight: 265.28508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N[N+](C1)(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N[N+](C1)(CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11,13(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H-,16,17,18,19)/p+1