3-[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-24(2)13-5-12-23-21(26)20-14-16-6-3-4-7-17(16)15-25(20)29(27,28)19-10-8-18(22)9-11-19/h3-4,6-11,20H,5,12-15H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1