5-bromanyl-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one

Systemtic Name: 5-bromanyl-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 5-bromo-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one CAS Name: 5-bromo-1-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-bromo-1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one Traditional Name: 5-bromo-1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-2-pyridone Formula: C17H21BrN3O+ MolecularWeight: 363.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C=C(C=CC3=O)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C=C(C=CC3=O)Br

InChI

InChI=1S/C17H20BrN3O/c1-14-3-2-4-16(11-14)20-9-7-19(8-10-20)13-21-12-15(18)5-6-17(21)22/h2-6,11-12H,7-10,13H2,1H3/p+1