N-[(3-bromanyl-4-methoxy-phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (3-bromo-4-methoxy-benzyl)-pyridin-1-ium-2-yl-amine Formula: C13H14BrN2O+ MolecularWeight: 294.16706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC=CC=[NH+]2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC=CC=[NH+]2)Br

InChI

InChI=1S/C13H13BrN2O/c1-17-12-6-5-10(8-11(12)14)9-16-13-4-2-3-7-15-13/h2-8H,9H2,1H3,(H,15,16)/p+1