(1-heptylpyrrol-1-ium-1-yl)-naphthalen-2-yl-methanone

Systemtic Name: (1-heptylpyrrol-1-ium-1-yl)-naphthalen-2-yl-methanone Openeye Name: (1-heptylpyrrol-1-ium-1-yl)-(2-naphthyl)methanone CAS Name: (1-heptyl-1-pyrrol-1-iumyl)-(2-naphthalenyl)methanone IUPAC Name: (1-heptylpyrrol-1-ium-1-yl)-naphthalen-2-ylmethanone Traditional Name: (1-heptylpyrrol-1-ium-1-yl)-(2-naphthyl)methanone Formula: C22H26NO+ MolecularWeight: 320.44794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1(C=CC=C1)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCC[N+]1(C=CC=C1)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H26NO/c1-2-3-4-5-8-15-23(16-9-10-17-23)22(24)21-14-13-19-11-6-7-12-20(19)18-21/h6-7,9-14,16-18H,2-5,8,15H2,1H3/q+1