[2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(4-azanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(4-aminobutyl)-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C14H19F3N2O3S MolecularWeight: 352.37247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)CCCCN

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)CCCCN

InChI

InChI=1S/C14H19F3N2O3S/c15-14(16,17)23(20,21)22-13-4-3-11-5-8-19(7-2-1-6-18)10-12(11)9-13/h3-4,9H,1-2,5-8,10,18H2