butanedioate; [4-(4-tert-butylphenyl)-3-phenyl-butyl]-dimethyl-azanium

Systemtic Name: butanedioate; [4-(4-tert-butylphenyl)-3-phenyl-butyl]-dimethyl-azanium Openeye Name: butanedioate; [4-(4-tert-butylphenyl)-3-phenyl-butyl]-dimethyl-ammonium CAS Name: butanedioate; [4-(4-tert-butylphenyl)-3-phenylbutyl]-dimethylammonium IUPAC Name: butanedioate; [4-(4-tert-butylphenyl)-3-phenylbutyl]-dimethylazanium Traditional Name: [4-(4-tert-butylphenyl)-3-phenyl-butyl]-dimethyl-ammonium; succinate Formula: C48H68N2O4 MolecularWeight: 737.06452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(CC[NH+](C)C)C2=CC=CC=C2.CC(C)(C)C1=CC=C(C=C1)CC(CC[NH+](C)C)C2=CC=CC=C2.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(CC[NH+](C)C)C2=CC=CC=C2.CC(C)(C)C1=CC=C(C=C1)CC(CC[NH+](C)C)C2=CC=CC=C2.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C22H31N.C4H6O4/c2*1-22(2,3)21-13-11-18(12-14-21)17-20(15-16-23(4)5)19-9-7-6-8-10-19;5-3(6)1-2-4(7)8/h2*6-14,20H,15-17H2,1-5H3;1-2H2,(H,5,6)(H,7,8)