dimethyl-[1-(3-methylphenyl)-3-naphthalen-1-yl-propyl]azanium; ethanedioate

Systemtic Name: dimethyl-[1-(3-methylphenyl)-3-naphthalen-1-yl-propyl]azanium; ethanedioate Openeye Name: dimethyl-[1-(m-tolyl)-3-(1-naphthyl)propyl]ammonium; oxalate CAS Name: dimethyl-[1-(3-methylphenyl)-3-(1-naphthalenyl)propyl]ammonium; oxalate IUPAC Name: dimethyl-[1-(3-methylphenyl)-3-naphthalen-1-ylpropyl]azanium; oxalate Traditional Name: dimethyl-[1-(m-tolyl)-3-(1-naphthyl)propyl]ammonium; oxalate Formula: C46H52N2O4 MolecularWeight: 696.91608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCC2=CC=CC3=CC=CC=C32)[NH+](C)C.CC1=CC(=CC=C1)C(CCC2=CC=CC3=CC=CC=C32)[NH+](C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C(CCC2=CC=CC3=CC=CC=C32)[NH+](C)C.CC1=CC(=CC=C1)C(CCC2=CC=CC3=CC=CC=C32)[NH+](C)C.C(=O)(C(=O)[O-])[O-]

InChI

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