(phenylmethyl)-[2-[(phenylmethyl)azaniumyl]ethyl]azanium diethanoate

Systemtic Name: (phenylmethyl)-[2-[(phenylmethyl)azaniumyl]ethyl]azanium diethanoate Openeye Name: benzyl-[2-(benzylammonio)ethyl]ammonium diacetate CAS Name: (phenylmethyl)-[2-[(phenylmethyl)ammonio]ethyl]ammonium diacetate IUPAC Name: benzyl-[2-(benzylazaniumyl)ethyl]azanium diacetate Traditional Name: benzyl-[2-(benzylammonio)ethyl]ammonium diacetate Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)