(5-bromanylpyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H21BrN3O+ MolecularWeight: 375.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H20BrN3O/c1-14-4-2-3-5-15(14)13-21-6-8-22(9-7-21)18(23)16-10-17(19)12-20-11-16/h2-5,10-12H,6-9,13H2,1H3/p+1