N-[(5-bromanyl-2,3-dimethoxy-phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(5-bromanyl-2,3-dimethoxy-phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(5-bromo-2,3-dimethoxy-phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(5-bromo-2,3-dimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-bromo-2,3-dimethoxy-benzyl)-pyridin-1-ium-2-yl-amine Formula: C14H16BrN2O2+ MolecularWeight: 324.19304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O2/c1-18-12-8-11(15)7-10(14(12)19-2)9-17-13-5-3-4-6-16-13/h3-8H,9H2,1-2H3,(H,16,17)/p+1