(4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl) hydrogen sulfate

Systemtic Name: (4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl) hydrogen sulfate Openeye Name: [4-(1-isoquinolyl)-1-phenethyl-4-piperidyl] hydrogen sulfate CAS Name: sulfuric acid [4-(1-isoquinolinyl)-1-phenethyl-4-piperidinyl] ester IUPAC Name: (4-isoquinolin-1-yl-1-phenethylpiperidin-4-yl) hydrogen sulfate Traditional Name: sulfuric acid [4-(1-isoquinolyl)-1-phenethyl-4-piperidyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OS(=O)(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OS(=O)(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c25-29(26,27)28-22(21-20-9-5-4-8-19(20)10-14-23-21)12-16-24(17-13-22)15-11-18-6-2-1-3-7-18/h1-10,14H,11-13,15-17H2,(H,25,26,27)