2,3-bis(oxidanyl)butanedioate; methyl-(4-naphthalen-1-yl-1-phenyl-butyl)azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; methyl-(4-naphthalen-1-yl-1-phenyl-butyl)azanium Openeye Name: 2,3-dihydroxybutanedioate; methyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium CAS Name: 2,3-dihydroxybutanedioate; methyl-[4-(1-naphthalenyl)-1-phenylbutyl]ammonium IUPAC Name: 2,3-dihydroxybutanedioate; methyl-(4-naphthalen-1-yl-1-phenylbutyl)azanium Traditional Name: methyl-[4-(1-naphthyl)-1-phenyl-butyl]ammonium tartrate Formula: C46H52N2O6 MolecularWeight: 728.91488

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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(C(C(=O)[O-])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(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C21H23N.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h2*2-7,9-13,15,21-22H,8,14,16H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)