4-bromanyl-2-methyl-N-(pyridin-1-ium-3-ylmethyl)aniline

Systemtic Name: 4-bromanyl-2-methyl-N-(pyridin-1-ium-3-ylmethyl)aniline Openeye Name: 4-bromo-2-methyl-N-(pyridin-1-ium-3-ylmethyl)aniline CAS Name: 4-bromo-2-methyl-N-(3-pyridin-1-iumylmethyl)aniline IUPAC Name: 4-bromo-2-methyl-N-(pyridin-1-ium-3-ylmethyl)aniline Traditional Name: (4-bromo-2-methyl-phenyl)-(pyridin-1-ium-3-ylmethyl)amine Formula: C13H14BrN2+ MolecularWeight: 278.16766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C13H13BrN2/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3/p+1