diheptyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium

Systemtic Name: diheptyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium Openeye Name: diheptyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium CAS Name: diheptyl-(1-iodoprop-2-ynyl)-phenethylammonium IUPAC Name: diheptyl-(1-iodoprop-2-ynyl)-phenethylazanium Traditional Name: diheptyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium Formula: C25H41IN+ MolecularWeight: 482.50421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(CCC1=CC=CC=C1)C(C#C)I

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(CCC1=CC=CC=C1)C(C#C)I

InChI

InChI=1S/C25H41IN/c1-4-7-9-11-16-21-27(25(26)6-3,22-17-12-10-8-5-2)23-20-24-18-14-13-15-19-24/h3,13-15,18-19,25H,4-5,7-12,16-17,20-23H2,1-2H3/q+1