5-bromanyl-1-[(2-chloranyl-4-pentoxy-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde

Systemtic Name: 5-bromanyl-1-[(2-chloranyl-4-pentoxy-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde Openeye Name: 5-bromo-1-[(2-chloro-4-pentoxy-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde CAS Name: 5-bromo-1-[(2-chloro-4-pentoxyphenyl)methyl]-4-methyl-1-imidazol-1-iumcarboxaldehyde IUPAC Name: 5-bromo-1-[(2-chloro-4-pentoxyphenyl)methyl]-4-methylimidazol-1-ium-1-carbaldehyde Traditional Name: 1-(4-amoxy-2-chloro-benzyl)-5-bromo-4-methyl-imidazol-1-ium-1-carbaldehyde Formula: C17H21BrClN2O2+ MolecularWeight: 400.71784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C[N+]2(C=NC(=C2Br)C)C=O)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C[N+]2(C=NC(=C2Br)C)C=O)Cl

InChI

InChI=1S/C17H21BrClN2O2/c1-3-4-5-8-23-15-7-6-14(16(19)9-15)10-21(12-22)11-20-13(2)17(21)18/h6-7,9,11-12H,3-5,8,10H2,1-2H3/q+1