[1-(3-chlorophenyl)-4-naphthalen-1-yl-butyl]azanium; ethanedioate

Systemtic Name: [1-(3-chlorophenyl)-4-naphthalen-1-yl-butyl]azanium; ethanedioate Openeye Name: [1-(3-chlorophenyl)-4-(1-naphthyl)butyl]ammonium; oxalate CAS Name: [1-(3-chlorophenyl)-4-(1-naphthalenyl)butyl]ammonium; oxalate IUPAC Name: [1-(3-chlorophenyl)-4-naphthalen-1-ylbutyl]azanium; oxalate Traditional Name: [1-(3-chlorophenyl)-4-(1-naphthyl)butyl]ammonium; oxalate Formula: C42H42Cl2N2O4 MolecularWeight: 709.69988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H20ClN.C2H2O4/c2*21-18-11-4-10-17(14-18)20(22)13-5-9-16-8-3-7-15-6-1-2-12-19(15)16;3-1(4)2(5)6/h2*1-4,6-8,10-12,14,20H,5,9,13,22H2;(H,3,4)(H,5,6)