6,6-diphenylhex-3-yn-2-yl-diethyl-methyl-azanium iodide

Systemtic Name: 6,6-diphenylhex-3-yn-2-yl-diethyl-methyl-azanium iodide Openeye Name: diethyl-methyl-(1-methyl-5,5-diphenyl-pent-2-ynyl)ammonium iodide CAS Name: 6,6-diphenylhex-3-yn-2-yl-diethyl-methylammonium iodide IUPAC Name: 6,6-diphenylhex-3-yn-2-yl-diethyl-methylazanium iodide Traditional Name: diethyl-methyl-(1-methyl-5,5-diphenyl-pent-2-ynyl)ammonium iodide Formula: C23H30IN MolecularWeight: 447.39547

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C(C)C#CCC(C1=CC=CC=C1)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC[N+](C)(CC)C(C)C#CCC(C1=CC=CC=C1)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C23H30N.HI/c1-5-24(4,6-2)20(3)14-13-19-23(21-15-9-7-10-16-21)22-17-11-8-12-18-22;/h7-12,15-18,20,23H,5-6,19H2,1-4H3;1H/q+1;/p-1