ethanedioate; (4-naphthalen-1-yl-1-phenyl-butyl)azanium

Systemtic Name: ethanedioate; (4-naphthalen-1-yl-1-phenyl-butyl)azanium Openeye Name: [4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate CAS Name: [4-(1-naphthalenyl)-1-phenylbutyl]ammonium; oxalate IUPAC Name: (4-naphthalen-1-yl-1-phenylbutyl)azanium; oxalate Traditional Name: [4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate Formula: C42H44N2O4 MolecularWeight: 640.80976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[NH3+].C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[NH3+].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[NH3+].C1=CC=C(C=C1)C(CCCC2=CC=CC3=CC=CC=C32)[NH3+].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H21N.C2H2O4/c2*21-20(18-9-2-1-3-10-18)15-7-13-17-12-6-11-16-8-4-5-14-19(16)17;3-1(4)2(5)6/h2*1-6,8-12,14,20H,7,13,15,21H2;(H,3,4)(H,5,6)