(4-butoxy-3-ethoxy-5-iodanyl-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (4-butoxy-3-ethoxy-5-iodanyl-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (4-butoxy-3-ethoxy-5-iodo-phenyl)methyl-isobutyl-ammonium CAS Name: (4-butoxy-3-ethoxy-5-iodophenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (4-butoxy-3-ethoxy-5-iodophenyl)methyl-(2-methylpropyl)azanium Traditional Name: (4-butoxy-3-ethoxy-5-iodo-benzyl)-isobutyl-ammonium Formula: C17H29INO2+ MolecularWeight: 406.32213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C[NH2+]CC(C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)C[NH2+]CC(C)C)OCC

InChI

InChI=1S/C17H28INO2/c1-5-7-8-21-17-15(18)9-14(10-16(17)20-6-2)12-19-11-13(3)4/h9-10,13,19H,5-8,11-12H2,1-4H3/p+1