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

Systemtic Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N5O3S/c1-15(2)13-25-16(12-21-20(25)29(3,26)27)14-23-8-10-24(11-9-23)19-22-17-6-4-5-7-18(17)28-19/h4-7,12,15H,8-11,13-14H2,1-3H3/p+1