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

Systemtic Name: 2-cyanoprop-2-enyl-di(nonyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-cyanoallyl)-di(nonyl)ammonium chloride CAS Name: 2-cyanoprop-2-enyl-di(nonyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-cyanoprop-2-enyl)-di(nonyl)azanium chloride Traditional Name: benzyl-(2-cyanoallyl)-di(nonyl)ammonium chloride Formula: C29H49ClN2 MolecularWeight: 461.16576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49N2.ClH/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;1H/q+1;/p-1