ethanedioate; methyl-[3-(4-methylnaphthalen-1-yl)-1-(4-methylphenyl)propyl]azanium

Systemtic Name: ethanedioate; methyl-[3-(4-methylnaphthalen-1-yl)-1-(4-methylphenyl)propyl]azanium Openeye Name: methyl-[3-(4-methyl-1-naphthyl)-1-(p-tolyl)propyl]ammonium; oxalate CAS Name: methyl-[3-(4-methyl-1-naphthalenyl)-1-(4-methylphenyl)propyl]ammonium; oxalate IUPAC Name: methyl-[3-(4-methylnaphthalen-1-yl)-1-(4-methylphenyl)propyl]azanium; oxalate Traditional Name: methyl-[3-(4-methyl-1-naphthyl)-1-(p-tolyl)propyl]ammonium; oxalate Formula: C46H52N2O4 MolecularWeight: 696.91608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC2=CC=C(C3=CC=CC=C23)C)[NH2+]C.CC1=CC=C(C=C1)C(CCC2=CC=C(C3=CC=CC=C23)C)[NH2+]C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CCC2=CC=C(C3=CC=CC=C23)C)[NH2+]C.CC1=CC=C(C=C1)C(CCC2=CC=C(C3=CC=CC=C23)C)[NH2+]C.C(=O)(C(=O)[O-])[O-]

InChI

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