2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(5-bromo-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-bromo-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C16H25BrN3O3S+ MolecularWeight: 419.357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C16H24BrN3O3S/c1-12(2)18-16(21)11-19-6-8-20(9-7-19)24(22,23)15-10-14(17)5-4-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)/p+1