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

Systemtic Name: 3-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C16H30N5O3S+ MolecularWeight: 372.5061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O3S/c1-13(2)11-21-14(10-18-16(21)25(3,23)24)12-20-8-6-19(7-9-20)5-4-15(17)22/h10,13H,4-9,11-12H2,1-3H3,(H2,17,22)/p+1