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

Systemtic Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[[3-[(2-fluorophenyl)methyl]-2-isopropylsulfonyl-imidazol-4-yl]methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-[[3-(2-fluorobenzyl)-2-isopropylsulfonyl-imidazol-4-yl]methyl]-4-isopropyl-piperazin-4-ium Formula: C21H32FN4O2S+ MolecularWeight: 423.567783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31FN4O2S/c1-16(2)25-11-9-24(10-12-25)15-19-13-23-21(29(27,28)17(3)4)26(19)14-18-7-5-6-8-20(18)22/h5-8,13,16-17H,9-12,14-15H2,1-4H3/p+1