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

Systemtic Name: ethanedioate; methyl-(4-naphthalen-1-yl-1-phenyl-butyl)azanium Openeye Name: methyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate CAS Name: methyl-[4-(1-naphthalenyl)-1-phenylbutyl]ammonium; oxalate IUPAC Name: methyl-(4-naphthalen-1-yl-1-phenylbutyl)azanium; oxalate Traditional Name: methyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium; oxalate Formula: C44H48N2O4 MolecularWeight: 668.86292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH2+]C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH2+]C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH2+]C(CCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

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