2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C16H33N4O3S+ MolecularWeight: 361.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H32N4O3S/c1-15(2)13-17-16(21)14-18-9-11-20(12-10-18)24(22,23)19-7-5-3-4-6-8-19/h15H,3-14H2,1-2H3,(H,17,21)/p+1