[(2S)-2-(4-bromanylthiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-bromanylthiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-bromo-2-thienyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-bromo-2-thiophenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2S)-2-(4-bromothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-bromo-2-thienyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C14H19BrN5S+ MolecularWeight: 369.30316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C[NH3+])C3=CC(=CS3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)[C@@H](C[NH3+])C3=CC(=CS3)Br

InChI

InChI=1S/C14H18BrN5S/c15-11-8-13(21-10-11)12(9-16)19-4-6-20(7-5-19)14-17-2-1-3-18-14/h1-3,8,10,12H,4-7,9,16H2/p+1/t12-/m0/s1