[1-(4-bromophenyl)-3-naphthalen-1-yl-propyl]azanium; butanedioate

Systemtic Name: [1-(4-bromophenyl)-3-naphthalen-1-yl-propyl]azanium; butanedioate Openeye Name: [1-(4-bromophenyl)-3-(1-naphthyl)propyl]ammonium; butanedioate CAS Name: [1-(4-bromophenyl)-3-(1-naphthalenyl)propyl]ammonium; butanedioate IUPAC Name: [1-(4-bromophenyl)-3-naphthalen-1-ylpropyl]azanium; butanedioate Traditional Name: [1-(4-bromophenyl)-3-(1-naphthyl)propyl]ammonium; succinate Formula: C42H42Br2N2O4 MolecularWeight: 798.60188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(C3=CC=C(C=C3)Br)[NH3+].C1=CC=C2C(=C1)C=CC=C2CCC(C3=CC=C(C=C3)Br)[NH3+].C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(C3=CC=C(C=C3)Br)[NH3+].C1=CC=C2C(=C1)C=CC=C2CCC(C3=CC=C(C=C3)Br)[NH3+].C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C19H18BrN.C4H6O4/c2*20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15;5-3(6)1-2-4(7)8/h2*1-9,11-12,19H,10,13,21H2;1-2H2,(H,5,6)(H,7,8)