dihexyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium

Systemtic Name: dihexyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium Openeye Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)ammonium CAS Name: dihexyl-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)azanium Traditional Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)ammonium Formula: C22H35IN+ MolecularWeight: 440.42447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35IN/c1-4-7-9-14-18-24(22(23)6-3,19-15-10-8-5-2)20-21-16-12-11-13-17-21/h3,11-13,16-17,22H,4-5,7-10,14-15,18-20H2,1-2H3/q+1