2-methyl-1-octyl-indol-1-ium-1-carbaldehyde

Systemtic Name: 2-methyl-1-octyl-indol-1-ium-1-carbaldehyde Openeye Name: 2-methyl-1-octyl-indol-1-ium-1-carbaldehyde CAS Name: 2-methyl-1-octyl-1-indol-1-iumcarboxaldehyde IUPAC Name: 2-methyl-1-octylindol-1-ium-1-carbaldehyde Traditional Name: 2-methyl-1-octyl-indol-1-ium-1-carbaldehyde Formula: C18H26NO+ MolecularWeight: 272.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(=CC2=CC=CC=C21)C)C=O

Isomeric SMILES

CCCCCCCC[N+]1(C(=CC2=CC=CC=C21)C)C=O

InChI

InChI=1S/C18H26NO/c1-3-4-5-6-7-10-13-19(15-20)16(2)14-17-11-8-9-12-18(17)19/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3/q+1