2-bromanylethanamine; (1,5-dimethylimidazol-1-ium-1-yl)-phenyl-methanone

Systemtic Name: 2-bromanylethanamine; (1,5-dimethylimidazol-1-ium-1-yl)-phenyl-methanone Openeye Name: 2-bromoethanamine; (1,5-dimethylimidazol-1-ium-1-yl)-phenyl-methanone CAS Name: 2-bromoethanamine; (1,5-dimethyl-1-imidazol-1-iumyl)-phenylmethanone IUPAC Name: 2-bromoethanamine; (1,5-dimethylimidazol-1-ium-1-yl)-phenylmethanone Traditional Name: 2-bromoethylamine; (1,5-dimethylimidazol-1-ium-1-yl)-phenyl-methanone Formula: C14H19BrN3O+ MolecularWeight: 325.22416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C[N+]1(C)C(=O)C2=CC=CC=C2.C(CBr)N

Isomeric SMILES

CC1=CN=C[N+]1(C)C(=O)C2=CC=CC=C2.C(CBr)N

InChI

InChI=1S/C12H13N2O.C2H6BrN/c1-10-8-13-9-14(10,2)12(15)11-6-4-3-5-7-11;3-1-2-4/h3-9H,1-2H3;1-2,4H2/q+1;