2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(2-brosylethyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H29BrN3O4S+ MolecularWeight: 463.40956

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H28BrN3O4S/c1-26-13-2-7-20-18(23)15-22-10-8-21(9-11-22)12-14-27(24,25)17-5-3-16(19)4-6-17/h3-6H,2,7-15H2,1H3,(H,20,23)/p+1