1-[(5-bromanylthiophen-2-yl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-methyl-piperazine-1,4-diium Formula: C10H17BrN2S+2 MolecularWeight: 277.22438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C10H15BrN2S/c1-12-4-6-13(7-5-12)8-9-2-3-10(11)14-9/h2-3H,4-8H2,1H3/p+2