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

Systemtic Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H34N5O3S+ MolecularWeight: 400.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)CN2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)CN2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C18H33N5O3S/c1-14(2)11-23-16(10-19-18(23)27(5,25)26)12-21-6-8-22(9-7-21)13-17(24)20-15(3)4/h10,14-15H,6-9,11-13H2,1-5H3,(H,20,24)/p+1