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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[2-(4-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=NC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

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