1-hexyl-1-(4-methylphenyl)indol-1-ium

Systemtic Name: 1-hexyl-1-(4-methylphenyl)indol-1-ium Openeye Name: 1-hexyl-1-(p-tolyl)indol-1-ium CAS Name: 1-hexyl-1-(4-methylphenyl)indol-1-ium IUPAC Name: 1-hexyl-1-(4-methylphenyl)indol-1-ium Traditional Name: 1-hexyl-1-(p-tolyl)indol-1-ium Formula: C21H26N+ MolecularWeight: 292.43784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CC2=CC=CC=C21)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC[N+]1(C=CC2=CC=CC=C21)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N/c1-3-4-5-8-16-22(20-13-11-18(2)12-14-20)17-15-19-9-6-7-10-21(19)22/h6-7,9-15,17H,3-5,8,16H2,1-2H3/q+1