5,5-diphenyl-8-piperidin-1-yl-octan-4-one sulfate

Systemtic Name: 5,5-diphenyl-8-piperidin-1-yl-octan-4-one sulfate Openeye Name: 5,5-diphenyl-8-(1-piperidyl)octan-4-one sulfate CAS Name: 5,5-diphenyl-8-(1-piperidinyl)-4-octanone sulfate IUPAC Name: 5,5-diphenyl-8-piperidin-1-yloctan-4-one sulfate Traditional Name: 5,5-diphenyl-8-piperidino-octan-4-one sulfate Formula: C25H33NO5S-2 MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)C(CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C25H33NO.H2O4S/c1-2-13-24(27)25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)18-12-21-26-19-10-5-11-20-26;1-5(2,3)4/h3-4,6-9,14-17H,2,5,10-13,18-21H2,1H3;(H2,1,2,3,4)/p-2