(2S)-N-(5-bromanylpyridin-2-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(5-bromanylpyridin-2-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(5-bromo-2-pyridyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(5-bromo-2-pyridinyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-bromopyridin-2-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(5-bromo-2-pyridyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C12H18BrN4O+ MolecularWeight: 314.20152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Br)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Br)N2CC[NH2+]CC2

InChI

InChI=1S/C12H17BrN4O/c1-9(17-6-4-14-5-7-17)12(18)16-11-3-2-10(13)8-15-11/h2-3,8-9,14H,4-7H2,1H3,(H,15,16,18)/p+1/t9-/m0/s1