4-[(4-fluorophenyl)methyl]-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium CAS Name: 4-[(4-fluorophenyl)methyl]-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-(4-fluorobenzyl)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium Formula: C21H31FN3O3S+ MolecularWeight: 424.552543

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O3S/c1-28-13-3-10-25-20(15-23-21(25)29(2,26)27)16-24-11-8-18(9-12-24)14-17-4-6-19(22)7-5-17/h4-7,15,18H,3,8-14,16H2,1-2H3/p+1