trimethyl-[2-[(E)-3-phenylprop-2-enoyl]heptyl]azanium iodide

Systemtic Name: trimethyl-[2-[(E)-3-phenylprop-2-enoyl]heptyl]azanium iodide Openeye Name: trimethyl-[2-[(E)-3-phenylprop-2-enoyl]heptyl]ammonium iodide CAS Name: trimethyl-[2-[(E)-1-oxo-3-phenylprop-2-enyl]heptyl]ammonium iodide IUPAC Name: trimethyl-[2-[(E)-3-phenylprop-2-enoyl]heptyl]azanium iodide Traditional Name: [(E)-2-amyl-3-keto-5-phenyl-pent-4-enyl]-trimethyl-ammonium iodide Formula: C19H30INO MolecularWeight: 415.35207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NO.HI/c1-5-6-8-13-18(16-20(2,3)4)19(21)15-14-17-11-9-7-10-12-17;/h7,9-12,14-15,18H,5-6,8,13,16H2,1-4H3;1H/q+1;/p-1/b15-14+;