2,3-bis(oxidanyl)butanedioate; dimethyl-(5-naphthalen-1-yl-1-phenyl-pentyl)azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; dimethyl-(5-naphthalen-1-yl-1-phenyl-pentyl)azanium Openeye Name: 2,3-dihydroxybutanedioate; dimethyl-[5-(1-naphthyl)-1-phenyl-pentyl]ammonium CAS Name: 2,3-dihydroxybutanedioate; dimethyl-[5-(1-naphthalenyl)-1-phenylpentyl]ammonium IUPAC Name: 2,3-dihydroxybutanedioate; dimethyl-(5-naphthalen-1-yl-1-phenylpentyl)azanium Traditional Name: dimethyl-[5-(1-naphthyl)-1-phenyl-pentyl]ammonium tartrate Formula: C50H60N2O6 MolecularWeight: 785.0212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CCCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)C(CCCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C[NH+](C)C(CCCCC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C23H27N.C4H6O6/c2*1-24(2)23(21-13-4-3-5-14-21)18-9-7-12-20-16-10-15-19-11-6-8-17-22(19)20;5-1(3(7)8)2(6)4(9)10/h2*3-6,8,10-11,13-17,23H,7,9,12,18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)