1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H28FN4O3S+ MolecularWeight: 423.524723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2F)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H27FN4O3S/c1-14(2)29(27,28)20-23-11-17(13-24-9-7-15(8-10-24)19(22)26)25(20)12-16-5-3-4-6-18(16)21/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,22,26)/p+1