1-(4-bromophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-brosyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O2S/c17-14-4-6-16(7-5-14)23(21,22)20-11-9-19(10-12-20)13-15-3-1-2-8-18-15/h1-8H,9-13H2/p+1