2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C19H29BrN3O3S+ MolecularWeight: 459.42086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3)Br

InChI

InChI=1S/C19H28BrN3O3S/c1-15-13-17(7-8-18(15)20)27(25,26)23-11-9-22(10-12-23)14-19(24)21-16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,21,24)/p+1