2,3-bis(oxidanyl)butanedioate; [4-(3-chlorophenyl)-3-phenyl-butyl]-methyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; [4-(3-chlorophenyl)-3-phenyl-butyl]-methyl-azanium Openeye Name: [4-(3-chlorophenyl)-3-phenyl-butyl]-methyl-ammonium; 2,3-dihydroxybutanedioate CAS Name: [4-(3-chlorophenyl)-3-phenylbutyl]-methylammonium; 2,3-dihydroxybutanedioate IUPAC Name: [4-(3-chlorophenyl)-3-phenylbutyl]-methylazanium; 2,3-dihydroxybutanedioate Traditional Name: [4-(3-chlorophenyl)-3-phenyl-butyl]-methyl-ammonium tartrate Formula: C38H46Cl2N2O6 MolecularWeight: 697.68764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC(CC1=CC(=CC=C1)Cl)C2=CC=CC=C2.C[NH2+]CCC(CC1=CC(=CC=C1)Cl)C2=CC=CC=C2.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

C[NH2+]CCC(CC1=CC(=CC=C1)Cl)C2=CC=CC=C2.C[NH2+]CCC(CC1=CC(=CC=C1)Cl)C2=CC=CC=C2.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C17H20ClN.C4H6O6/c2*1-19-11-10-16(15-7-3-2-4-8-15)12-14-6-5-9-17(18)13-14;5-1(3(7)8)2(6)4(9)10/h2*2-9,13,16,19H,10-12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)