3-(2-iodanyl-4-methyl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(2-iodanyl-4-methyl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[3-(2-iodo-4-methyl-phenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[3-(2-iodo-4-methylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[3-(2-iodo-4-methylphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[3-(2-iodo-4-methyl-phenoxy)propyl]ammonium Formula: C13H21INO2+ MolecularWeight: 350.21581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC[NH2+]CC(C)O)I

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC[NH2+]C[C@H](C)O)I

InChI

InChI=1S/C13H20INO2/c1-10-4-5-13(12(14)8-10)17-7-3-6-15-9-11(2)16/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3/p+1/t11-/m0/s1