(3R)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(4-fluorophenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27FN3O4S+ MolecularWeight: 448.530883

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O4S/c23-19-5-7-20(8-6-19)31(28,29)26-16-18-4-2-1-3-17(18)15-21(26)22(27)24-9-10-25-11-13-30-14-12-25/h1-8,21H,9-16H2,(H,24,27)/p+1/t21-/m1/s1