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

Systemtic Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrazine Formula: C17H27N6O2S+ MolecularWeight: 379.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C17H26N6O2S/c1-14(2)12-23-15(10-20-17(23)26(3,24)25)13-21-6-8-22(9-7-21)16-11-18-4-5-19-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3/p+1