5-bromanyl-N-[[4-(diethylamino)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-bromanyl-N-[[4-(diethylamino)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 5-bromo-N-[[4-(diethylamino)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: [4-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]phenyl]-diethyl-amine Formula: C16H21BrN3+ MolecularWeight: 335.26204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)Br

InChI

InChI=1S/C16H20BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)11-18-16-10-7-14(17)12-19-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)/p+1