methyl-(3-phenylpropyl)-prop-2-enyl-propyl-azanium; 1-(2-phenylphenyl)butan-1-ol; iodide

Systemtic Name: methyl-(3-phenylpropyl)-prop-2-enyl-propyl-azanium; 1-(2-phenylphenyl)butan-1-ol; iodide Openeye Name: allyl-methyl-(3-phenylpropyl)-propyl-ammonium; 1-(2-phenylphenyl)butan-1-ol; iodide CAS Name: methyl-(3-phenylpropyl)-prop-2-enyl-propylammonium; 1-(2-phenylphenyl)-1-butanol; iodide IUPAC Name: methyl-(3-phenylpropyl)-prop-2-enyl-propylazanium; 1-(2-phenylphenyl)butan-1-ol; iodide Traditional Name: allyl-methyl-(3-phenylpropyl)-propyl-ammonium; 1-(2-phenylphenyl)butan-1-ol; iodide Formula: C32H44INO MolecularWeight: 585.60233

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C2=CC=CC=C2)O.CCC[N+](C)(CCCC1=CC=CC=C1)CC=C.[I-]

Isomeric SMILES

CCCC(C1=CC=CC=C1C2=CC=CC=C2)O.CCC[N+](C)(CCCC1=CC=CC=C1)CC=C.[I-]

InChI

InChI=1S/C16H26N.C16H18O.HI/c1-4-13-17(3,14-5-2)15-9-12-16-10-7-6-8-11-16;1-2-8-16(17)15-12-7-6-11-14(15)13-9-4-3-5-10-13;/h4,6-8,10-11H,1,5,9,12-15H2,2-3H3;3-7,9-12,16-17H,2,8H2,1H3;1H/q+1;;/p-1