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

Systemtic Name: 2-[4-[(4-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(4-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(4-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(4-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(4-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(=CS2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CS2)Br)C3=NC=CC=N3

InChI

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