[4-(2-chloranylnaphthalen-1-yl)-1-(4-chlorophenyl)butyl]azanium; ethanedioate

Systemtic Name: [4-(2-chloranylnaphthalen-1-yl)-1-(4-chlorophenyl)butyl]azanium; ethanedioate Openeye Name: [4-(2-chloro-1-naphthyl)-1-(4-chlorophenyl)butyl]ammonium; oxalate CAS Name: [4-(2-chloro-1-naphthalenyl)-1-(4-chlorophenyl)butyl]ammonium; oxalate IUPAC Name: [4-(2-chloronaphthalen-1-yl)-1-(4-chlorophenyl)butyl]azanium; oxalate Traditional Name: [4-(2-chloro-1-naphthyl)-1-(4-chlorophenyl)butyl]ammonium; oxalate Formula: C42H40Cl4N2O4 MolecularWeight: 778.59

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CCCC(C3=CC=C(C=C3)Cl)[NH3+])Cl.C1=CC=C2C(=C1)C=CC(=C2CCCC(C3=CC=C(C=C3)Cl)[NH3+])Cl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CCCC(C3=CC=C(C=C3)Cl)[NH3+])Cl.C1=CC=C2C(=C1)C=CC(=C2CCCC(C3=CC=C(C=C3)Cl)[NH3+])Cl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H19Cl2N.C2H2O4/c2*21-16-11-8-15(9-12-16)20(23)7-3-6-18-17-5-2-1-4-14(17)10-13-19(18)22;3-1(4)2(5)6/h2*1-2,4-5,8-13,20H,3,6-7,23H2;(H,3,4)(H,5,6)