1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-[2-(2-pyridinyl)ethyl]piperazin-4-ium IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium Formula: C17H20BrClN3O2S+ MolecularWeight: 445.7816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H19BrClN3O2S/c18-14-4-5-17(16(19)13-14)25(23,24)22-11-9-21(10-12-22)8-6-15-3-1-2-7-20-15/h1-5,7,13H,6,8-12H2/p+1