(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methyl-(3-oxidanylpropyl)azanium Openeye Name: (3-ethoxy-5-iodo-4-isopropoxy-phenyl)methyl-(3-hydroxypropyl)ammonium CAS Name: (3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methyl-(3-hydroxypropyl)ammonium IUPAC Name: (3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methyl-(3-hydroxypropyl)azanium Traditional Name: (3-ethoxy-5-iodo-4-isopropoxy-benzyl)-(3-hydroxypropyl)ammonium Formula: C15H25INO3+ MolecularWeight: 394.26837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCO)I)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCO)I)OC(C)C

InChI

InChI=1S/C15H24INO3/c1-4-19-14-9-12(10-17-6-5-7-18)8-13(16)15(14)20-11(2)3/h8-9,11,17-18H,4-7,10H2,1-3H3/p+1