2-(4-ethylphenyl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(4-ethylphenyl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-(4-ethylphenyl)-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(4-ethylphenyl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(4-ethylphenyl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-(4-ethylphenyl)-3H-isoindol-2-ium-1-yl]amine bromide Formula: C16H17BrN2 MolecularWeight: 317.22358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

InChI

InChI=1S/C16H16N2.BrH/c1-2-12-7-9-14(10-8-12)18-11-13-5-3-4-6-15(13)16(18)17;/h3-10,17H,2,11H2,1H3;1H