(2,6-dimethylphenyl)methyl-(1-iodanylprop-2-ynyl)-di(nonyl)azanium

Systemtic Name: (2,6-dimethylphenyl)methyl-(1-iodanylprop-2-ynyl)-di(nonyl)azanium Openeye Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium CAS Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium IUPAC Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-di(nonyl)azanium Traditional Name: (2,6-dimethylbenzyl)-(1-iodoprop-2-ynyl)-di(nonyl)ammonium Formula: C30H51IN+ MolecularWeight: 552.63711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51IN/c1-6-9-11-13-15-17-19-24-32(30(31)8-3,25-20-18-16-14-12-10-7-2)26-29-27(4)22-21-23-28(29)5/h3,21-23,30H,6-7,9-20,24-26H2,1-2,4-5H3/q+1