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

Systemtic Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Openeye Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate CAS Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate IUPAC Name: 1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Traditional Name: 1-neopentyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium thiocyanate Formula: C31H30N2S MolecularWeight: 462.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N.CHNS/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;2-1-3/h4-17,20H,18-19,21H2,1-3H3;3H/q+1;/p-1