5-azanyl-1-methyl-3-phenacyl-imidazol-1-ium-4-carboxamide bromide

Systemtic Name: 5-azanyl-1-methyl-3-phenacyl-imidazol-1-ium-4-carboxamide bromide Openeye Name: 5-amino-1-methyl-3-phenacyl-imidazol-1-ium-4-carboxamide bromide CAS Name: 5-amino-1-methyl-3-phenacyl-4-imidazol-1-iumcarboxamide bromide IUPAC Name: 5-amino-1-methyl-3-phenacylimidazol-1-ium-4-carboxamide bromide Traditional Name: 5-amino-1-methyl-3-phenacyl-imidazol-1-ium-4-carboxamide bromide Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C(=C1N)C(=O)N)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CN(C(=C1N)C(=O)N)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H14N4O2.BrH/c1-16-8-17(11(12(16)14)13(15)19)7-10(18)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H3-,14,15,19);1H