N-(5-bromanylpyridin-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(5-bromo-2-pyridyl)acetamide Formula: C18H22BrN4O+ MolecularWeight: 390.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN4O/c19-16-6-7-17(20-12-16)21-18(24)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,21,24)/p+1