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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C17H18BrClN3O+ MolecularWeight: 395.70132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O/c18-15-9-14(10-20-11-15)17(23)22-6-4-21(5-7-22)12-13-2-1-3-16(19)8-13/h1-3,8-11H,4-7,12H2/p+1