3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carbaldehyde

Systemtic Name: 3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carbaldehyde Openeye Name: 3-butanoyl-3-butyl-6-methyl-benzimidazol-3-ium-5-carbaldehyde CAS Name: 3-butyl-6-methyl-3-(1-oxobutyl)-5-benzimidazol-3-iumcarboxaldehyde IUPAC Name: 3-butanoyl-3-butyl-6-methylbenzimidazol-3-ium-5-carbaldehyde Traditional Name: 3-butyl-3-butyryl-6-methyl-benzimidazol-3-ium-5-carbaldehyde Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2O2/c1-4-6-8-19(17(21)7-5-2)12-18-15-9-13(3)14(11-20)10-16(15)19/h9-12H,4-8H2,1-3H3/q+1