1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium Traditional Name: 1-(2-brosylethyl)-4-piperonyl-piperazin-4-ium Formula: C20H24BrN2O4S+ MolecularWeight: 468.38456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H23BrN2O4S/c21-17-2-4-18(5-3-17)28(24,25)12-11-22-7-9-23(10-8-22)14-16-1-6-19-20(13-16)27-15-26-19/h1-6,13H,7-12,14-15H2/p+1