N-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-2-amine Openeye Name: N-[2-(2-bromo-4-methyl-phenoxy)ethyl]pyridin-1-ium-2-amine CAS Name: N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-pyridin-1-iumamine IUPAC Name: N-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-1-ium-2-amine Traditional Name: 2-(2-bromo-4-methyl-phenoxy)ethyl-pyridin-1-ium-2-yl-amine Formula: C14H16BrN2O+ MolecularWeight: 308.19364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O/c1-11-5-6-13(12(15)10-11)18-9-8-17-14-4-2-3-7-16-14/h2-7,10H,8-9H2,1H3,(H,16,17)/p+1