1-butyl-1-phenyl-indol-1-ium-2-carbaldehyde

Systemtic Name: 1-butyl-1-phenyl-indol-1-ium-2-carbaldehyde Openeye Name: 1-butyl-1-phenyl-indol-1-ium-2-carbaldehyde CAS Name: 1-butyl-1-phenyl-2-indol-1-iumcarboxaldehyde IUPAC Name: 1-butyl-1-phenylindol-1-ium-2-carbaldehyde Traditional Name: 1-butyl-1-phenyl-indol-1-ium-2-carbaldehyde Formula: C19H20NO+ MolecularWeight: 278.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=CC=CC=C2C=C1C=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1(C2=CC=CC=C2C=C1C=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20NO/c1-2-3-13-20(17-10-5-4-6-11-17)18(15-21)14-16-9-7-8-12-19(16)20/h4-12,14-15H,2-3,13H2,1H3/q+1