trimethyl-[4-(methylcarbamoyloxy)-2-pentyl-phenyl]azanium iodide

Systemtic Name: trimethyl-[4-(methylcarbamoyloxy)-2-pentyl-phenyl]azanium iodide Openeye Name: trimethyl-[4-(methylcarbamoyloxy)-2-pentyl-phenyl]ammonium iodide CAS Name: trimethyl-[4-(methylcarbamoyloxy)-2-pentylphenyl]ammonium iodide IUPAC Name: trimethyl-[4-(methylcarbamoyloxy)-2-pentylphenyl]azanium iodide Traditional Name: [2-amyl-4-(methylcarbamoyloxy)phenyl]-trimethyl-ammonium iodide Formula: C16H27IN2O2 MolecularWeight: 406.30225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)C.[I-]

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)C.[I-]

InChI

InChI=1S/C16H26N2O2.HI/c1-6-7-8-9-13-12-14(20-16(19)17-2)10-11-15(13)18(3,4)5;/h10-12H,6-9H2,1-5H3;1H