dimethyl-(3-naphthalen-1-yl-1-phenyl-propyl)azanium; ethanedioate

Systemtic Name: dimethyl-(3-naphthalen-1-yl-1-phenyl-propyl)azanium; ethanedioate Openeye Name: dimethyl-[3-(1-naphthyl)-1-phenyl-propyl]ammonium; oxalate CAS Name: dimethyl-[3-(1-naphthalenyl)-1-phenylpropyl]ammonium; oxalate IUPAC Name: dimethyl-(3-naphthalen-1-yl-1-phenylpropyl)azanium; oxalate Traditional Name: dimethyl-[3-(1-naphthyl)-1-phenyl-propyl]ammonium; oxalate Formula: C44H48N2O4 MolecularWeight: 668.86292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+](C)C(CCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C21H23N.C2H2O4/c2*1-22(2)21(19-10-4-3-5-11-19)16-15-18-13-8-12-17-9-6-7-14-20(17)18;3-1(4)2(5)6/h2*3-14,21H,15-16H2,1-2H3;(H,3,4)(H,5,6)