[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(3-phenoxypropyl)azanium

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(3-phenoxypropyl)azanium Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-methyl-(3-phenoxypropyl)ammonium CAS Name: [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methyl-(3-phenoxypropyl)ammonium IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium Traditional Name: [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]-methyl-(3-phenoxypropyl)ammonium Formula: C17H21BrN3O2+ MolecularWeight: 379.27154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC=C1)CC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

C[NH+](CCCOC1=CC=CC=C1)CC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O2/c1-21(10-5-11-23-15-6-3-2-4-7-15)13-17(22)20-16-9-8-14(18)12-19-16/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,19,20,22)/p+1