1-(5-bromanylpyridin-2-yl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(5-bromo-2-pyridyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium CAS Name: 1-(5-bromo-2-pyridinyl)-4-[(5-chloro-2-thiophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-bromopyridin-2-yl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(5-bromo-2-pyridyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium Formula: C14H16BrClN3S+ MolecularWeight: 373.71894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=NC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=NC=C(C=C3)Br

InChI

InChI=1S/C14H15BrClN3S/c15-11-1-4-14(17-9-11)19-7-5-18(6-8-19)10-12-2-3-13(16)20-12/h1-4,9H,5-8,10H2/p+1