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

Systemtic Name: N-[2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O3S/c1-12-11-14(3-4-15(12)16)23(21,22)19-9-7-18(8-10-19)6-5-17-13(2)20/h3-4,11H,5-10H2,1-2H3,(H,17,20)/p+1