1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; ethyl sulfate

Systemtic Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; ethyl sulfate Openeye Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; ethyl sulfate CAS Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; ethyl sulfate IUPAC Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; ethyl sulfate Traditional Name: ethyl sulfate; 1-neopentyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium Formula: C32H35NO4S MolecularWeight: 529.6896

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CC(C)(C)C[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOS(=O)(=O)[O-].CC(C)(C)C[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N.C2H6O4S/c1-30(2,3)21-31-28(24-15-8-5-9-16-24)20-27(22-12-6-4-7-13-22)26-19-18-23-14-10-11-17-25(23)29(26)31;1-2-6-7(3,4)5/h4-17,20H,18-19,21H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1