[3-(azaniumylmethyl)phenyl]methylazanium; naphthalene-2,7-dicarboxylate

Systemtic Name: [3-(azaniumylmethyl)phenyl]methylazanium; naphthalene-2,7-dicarboxylate Openeye Name: [3-(azaniumylmethyl)phenyl]methylammonium; naphthalene-2,7-dicarboxylate CAS Name: [3-(ammoniomethyl)phenyl]methylammonium; naphthalene-2,7-dicarboxylate IUPAC Name: [3-(azaniumylmethyl)phenyl]methylazanium; naphthalene-2,7-dicarboxylate Traditional Name: [3-(ammoniomethyl)benzyl]ammonium; naphthalene-2,7-dicarboxylate Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C[NH3+])C[NH3+].C1=CC(=CC2=C1C=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C[NH3+])C[NH3+].C1=CC(=CC2=C1C=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H8O4.C8H12N2/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;9-5-7-2-1-3-8(4-7)6-10/h1-6H,(H,13,14)(H,15,16);1-4H,5-6,9-10H2