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

Systemtic Name: dimethyl-(4-naphthalen-1-yl-1-phenyl-butyl)azanium; ethanedioate Openeye Name: dimethyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate CAS Name: dimethyl-[4-(1-naphthalenyl)-1-phenylbutyl]ammonium; oxalate IUPAC Name: dimethyl-(4-naphthalen-1-yl-1-phenylbutyl)azanium; oxalate Traditional Name: dimethyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate Formula: C46H52N2O4 MolecularWeight: 696.91608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+](C)C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C22H25N.C2H2O4/c2*1-23(2)22(20-11-4-3-5-12-20)17-9-15-19-14-8-13-18-10-6-7-16-21(18)19;3-1(4)2(5)6/h2*3-8,10-14,16,22H,9,15,17H2,1-2H3;(H,3,4)(H,5,6)