1-iodanylprop-2-ynyl-di(nonyl)-(phenylmethyl)azanium

Systemtic Name: 1-iodanylprop-2-ynyl-di(nonyl)-(phenylmethyl)azanium Openeye Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium CAS Name: 1-iodoprop-2-ynyl-di(nonyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)azanium Traditional Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium Formula: C28H47IN+ MolecularWeight: 524.58395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47IN/c1-4-7-9-11-13-15-20-24-30(28(29)6-3,26-27-22-18-17-19-23-27)25-21-16-14-12-10-8-5-2/h3,17-19,22-23,28H,4-5,7-16,20-21,24-26H2,1-2H3/q+1