2-[[(4-chlorophenyl)-phenyl-methyl]azaniumyl]ethyl-bis(phenylmethyl)azanium; ethanedioate

Systemtic Name: 2-[[(4-chlorophenyl)-phenyl-methyl]azaniumyl]ethyl-bis(phenylmethyl)azanium; ethanedioate Openeye Name: dibenzyl-[2-[[(4-chlorophenyl)-phenyl-methyl]ammonio]ethyl]ammonium; oxalate CAS Name: 2-[[(4-chlorophenyl)-phenylmethyl]ammonio]ethyl-bis(phenylmethyl)ammonium; oxalate IUPAC Name: dibenzyl-[2-[[(4-chlorophenyl)-phenylmethyl]azaniumyl]ethyl]azanium; oxalate Traditional Name: dibenzyl-[2-[[(4-chlorophenyl)-phenyl-methyl]ammonio]ethyl]ammonium; oxalate Formula: C31H31ClN2O4 MolecularWeight: 531.04184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC[NH2+]C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC[NH2+]C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C29H29ClN2.C2H2O4/c30-28-18-16-27(17-19-28)29(26-14-8-3-9-15-26)31-20-21-32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25;3-1(4)2(5)6/h1-19,29,31H,20-23H2;(H,3,4)(H,5,6)