diheptyl-(1-iodanylprop-2-ynyl)-[(2-methylphenyl)methyl]azanium

Systemtic Name: diheptyl-(1-iodanylprop-2-ynyl)-[(2-methylphenyl)methyl]azanium Openeye Name: diheptyl-(1-iodoprop-2-ynyl)-(o-tolylmethyl)ammonium CAS Name: diheptyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]ammonium IUPAC Name: diheptyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]azanium Traditional Name: diheptyl-(1-iodoprop-2-ynyl)-(2-methylbenzyl)ammonium Formula: C25H41IN+ MolecularWeight: 482.50421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(CC1=CC=CC=C1C)C(C#C)I

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(CC1=CC=CC=C1C)C(C#C)I

InChI

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