1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazin-4-ium IUPAC Name: 1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium Formula: C20H32N5O2S+ MolecularWeight: 406.56538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H31N5O2S/c1-16(2)13-25-18(12-22-20(25)28(4,26)27)14-23-8-10-24(11-9-23)15-19-17(3)6-5-7-21-19/h5-7,12,16H,8-11,13-15H2,1-4H3/p+1