2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(2-brosylethyl)piperazin-4-ium-1-yl]phenol Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3O

InChI

InChI=1S/C18H21BrN2O3S/c19-15-5-7-16(8-6-15)25(23,24)14-13-20-9-11-21(12-10-20)17-3-1-2-4-18(17)22/h1-8,22H,9-14H2/p+1