N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine Openeye Name: N-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2-pyridin-1-iumamine IUPAC Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]pyridin-1-ium-2-amine Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)ethyl-pyridin-1-ium-2-yl-amine Formula: C15H18BrN2O+ MolecularWeight: 322.22022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCNC2=CC=CC=[NH+]2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCNC2=CC=CC=[NH+]2)C

InChI

InChI=1S/C15H17BrN2O/c1-11-9-12(2)15(13(16)10-11)19-8-7-18-14-5-3-4-6-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)/p+1