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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

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