2-cyanoprop-2-enyl-di(nonyl)-(phenylmethyl)azanium

Systemtic Name: 2-cyanoprop-2-enyl-di(nonyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2-cyanoallyl)-di(nonyl)ammonium CAS Name: 2-cyanoprop-2-enyl-di(nonyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-cyanoprop-2-enyl)-di(nonyl)azanium Traditional Name: benzyl-(2-cyanoallyl)-di(nonyl)ammonium Formula: C29H49N2+ MolecularWeight: 425.71276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](CCCCCCCCC)(CC1=CC=CC=C1)CC(=C)C#N

Isomeric SMILES

CCCCCCCCC[N+](CCCCCCCCC)(CC1=CC=CC=C1)CC(=C)C#N

InChI

InChI=1S/C29H49N2/c1-4-6-8-10-12-14-19-23-31(26-28(3)25-30,27-29-21-17-16-18-22-29)24-20-15-13-11-9-7-5-2/h16-18,21-22H,3-15,19-20,23-24,26-27H2,1-2H3/q+1