dibutyl-[(2,6-dimethylphenyl)methyl]-(1-iodanylprop-2-ynyl)azanium

Systemtic Name: dibutyl-[(2,6-dimethylphenyl)methyl]-(1-iodanylprop-2-ynyl)azanium Openeye Name: dibutyl-[(2,6-dimethylphenyl)methyl]-(1-iodoprop-2-ynyl)ammonium CAS Name: dibutyl-[(2,6-dimethylphenyl)methyl]-(1-iodoprop-2-ynyl)ammonium IUPAC Name: dibutyl-[(2,6-dimethylphenyl)methyl]-(1-iodoprop-2-ynyl)azanium Traditional Name: dibutyl-(2,6-dimethylbenzyl)-(1-iodoprop-2-ynyl)ammonium Formula: C20H31IN+ MolecularWeight: 412.37131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31IN/c1-6-9-14-22(15-10-7-2,20(21)8-3)16-19-17(4)12-11-13-18(19)5/h3,11-13,20H,6-7,9-10,14-16H2,1-2,4-5H3/q+1