trimethyl-[2-(1-oxidanyl-3-phenyl-prop-2-enyl)heptyl]azanium iodide

Systemtic Name: trimethyl-[2-(1-oxidanyl-3-phenyl-prop-2-enyl)heptyl]azanium iodide Openeye Name: 2-(1-hydroxy-3-phenyl-allyl)heptyl-trimethyl-ammonium iodide CAS Name: 2-(1-hydroxy-3-phenylprop-2-enyl)heptyl-trimethylammonium iodide IUPAC Name: 2-(1-hydroxy-3-phenylprop-2-enyl)heptyl-trimethylazanium iodide Traditional Name: (2-amyl-3-hydroxy-5-phenyl-pent-4-enyl)-trimethyl-ammonium iodide Formula: C19H32INO MolecularWeight: 417.36795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](C)(C)C)C(C=CC1=CC=CC=C1)O.[I-]

Isomeric SMILES

CCCCCC(C[N+](C)(C)C)C(C=CC1=CC=CC=C1)O.[I-]

InChI

InChI=1S/C19H32NO.HI/c1-5-6-8-13-18(16-20(2,3)4)19(21)15-14-17-11-9-7-10-12-17;/h7,9-12,14-15,18-19,21H,5-6,8,13,16H2,1-4H3;1H/q+1;/p-1