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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C13H16BrN4S+ MolecularWeight: 340.26194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=NC=CC=N3

InChI

InChI=1S/C13H15BrN4S/c14-12-3-2-11(19-12)10-17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1-5H,6-10H2/p+1