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

Systemtic Name: diheptyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium Openeye Name: benzyl-diheptyl-(1-iodoprop-2-ynyl)ammonium CAS Name: diheptyl-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-diheptyl-(1-iodoprop-2-ynyl)azanium Traditional Name: benzyl-diheptyl-(1-iodoprop-2-ynyl)ammonium Formula: C24H39IN+ MolecularWeight: 468.47763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39IN/c1-4-7-9-11-16-20-26(24(25)6-3,21-17-12-10-8-5-2)22-23-18-14-13-15-19-23/h3,13-15,18-19,24H,4-5,7-12,16-17,20-22H2,1-2H3/q+1