1-butyl-5-ethanoyl-benzimidazol-1-ium-1-carbaldehyde

Systemtic Name: 1-butyl-5-ethanoyl-benzimidazol-1-ium-1-carbaldehyde Openeye Name: 5-acetyl-1-butyl-benzimidazol-1-ium-1-carbaldehyde CAS Name: 5-acetyl-1-butyl-1-benzimidazol-1-iumcarboxaldehyde IUPAC Name: 5-acetyl-1-butylbenzimidazol-1-ium-1-carbaldehyde Traditional Name: 5-acetyl-1-butyl-benzimidazol-1-ium-1-carbaldehyde Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)C)C=O

Isomeric SMILES

CCCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)C)C=O

InChI

InChI=1S/C14H17N2O2/c1-3-4-7-16(10-17)9-15-13-8-12(11(2)18)5-6-14(13)16/h5-6,8-10H,3-4,7H2,1-2H3/q+1