2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-methyl-N-(2-thenyl)acetamide Formula: C18H23BrN3O3S2+ MolecularWeight: 473.42752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O3S2/c1-20(13-16-3-2-12-26-16)18(23)14-21-8-10-22(11-9-21)27(24,25)17-6-4-15(19)5-7-17/h2-7,12H,8-11,13-14H2,1H3/p+1