2-bromanyl-4-[[methyl-(phenylmethyl)azaniumyl]methyl]pyridin-3-olate

Systemtic Name: 2-bromanyl-4-[[methyl-(phenylmethyl)azaniumyl]methyl]pyridin-3-olate Openeye Name: 4-[[benzyl(methyl)ammonio]methyl]-2-bromo-pyridin-3-olate CAS Name: 2-bromo-4-[[methyl-(phenylmethyl)ammonio]methyl]-3-pyridinolate IUPAC Name: 4-[[benzyl(methyl)azaniumyl]methyl]-2-bromopyridin-3-olate Traditional Name: 4-[[benzyl(methyl)ammonio]methyl]-2-bromo-pyridin-3-olate Formula: C14H15BrN2O MolecularWeight: 307.1857

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C(=NC=C2)Br)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C(=NC=C2)Br)[O-]

InChI

InChI=1S/C14H15BrN2O/c1-17(9-11-5-3-2-4-6-11)10-12-7-8-16-14(15)13(12)18/h2-8,18H,9-10H2,1H3