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

Systemtic Name: 1-ethyl-4-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium Formula: C20H30FN4O2S+ MolecularWeight: 409.541203

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CN=C(N2CC3=CC=CC=C3F)S(=O)(=O)C(C)C

InChI

InChI=1S/C20H29FN4O2S/c1-4-23-9-11-24(12-10-23)15-18-13-22-20(28(26,27)16(2)3)25(18)14-17-7-5-6-8-19(17)21/h5-8,13,16H,4,9-12,14-15H2,1-3H3/p+1