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

Systemtic Name: dihexyl-(1-iodanylprop-2-ynyl)-[(2-methylphenyl)methyl]azanium Openeye Name: dihexyl-(1-iodoprop-2-ynyl)-(o-tolylmethyl)ammonium CAS Name: dihexyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]ammonium IUPAC Name: dihexyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]azanium Traditional Name: dihexyl-(1-iodoprop-2-ynyl)-(2-methylbenzyl)ammonium Formula: C23H37IN+ MolecularWeight: 454.45105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37IN/c1-5-8-10-14-18-25(23(24)7-3,19-15-11-9-6-2)20-22-17-13-12-16-21(22)4/h3,12-13,16-17,23H,5-6,8-11,14-15,18-20H2,1-2,4H3/q+1