(5-bromanylpyridin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-3-pyridyl)methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromopyridin-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-bromo-3-pyridyl)methanone Formula: C17H19BrN3O+ MolecularWeight: 361.25626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H18BrN3O/c18-16-10-15(11-19-12-16)17(22)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2/p+1