[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O3S/c1-23-10-12-24(13-11-23)21(26)20-14-16-4-2-3-5-17(16)15-25(20)29(27,28)19-8-6-18(22)7-9-19/h2-9,20H,10-15H2,1H3/p+1/t20-/m1/s1