2-fluoranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-fluoranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-fluoro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-morpholinosulfonyl-benzamide CAS Name: 2-fluoro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-fluoro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-morpholinosulfonyl-benzamide Formula: C20H31FN3O4S+ MolecularWeight: 428.541243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C20H30FN3O4S/c1-16-5-2-3-9-23(16)10-4-8-22-20(25)18-15-17(6-7-19(18)21)29(26,27)24-11-13-28-14-12-24/h6-7,15-16H,2-5,8-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1