N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-pyridin-1-ium-2-yl-amine Formula: C15H18BrN2O2+ MolecularWeight: 338.21962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC2=CC=CC=[NH+]2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC2=CC=CC=[NH+]2)OC

InChI

InChI=1S/C15H17BrN2O2/c1-3-20-15-12(16)8-11(9-13(15)19-2)10-18-14-6-4-5-7-17-14/h4-9H,3,10H2,1-2H3,(H,17,18)/p+1