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

Systemtic Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Formula: C20H29FN3O3S+ MolecularWeight: 410.525963

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O3S/c1-15(2)28(25,26)20-22-12-17(14-23-10-8-18(27-3)9-11-23)24(20)13-16-6-4-5-7-19(16)21/h4-7,12,15,18H,8-11,13-14H2,1-3H3/p+1