1-[(5-bromanylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C14H18BrN3S+2 MolecularWeight: 340.28182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H16BrN3S/c15-13-5-4-12(19-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2/p+2