[(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodanylphenyl)methyl]azanium

Systemtic Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodanylphenyl)methyl]azanium Openeye Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methyl]ammonium CAS Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methyl]ammonium IUPAC Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methyl]azanium Traditional Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methyl]ammonium Formula: C16H17INO2+ MolecularWeight: 382.21615

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(C3=CC(=CC=C3)I)[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](C3=CC(=CC=C3)I)[NH3+])OC1

InChI

InChI=1S/C16H16INO2/c17-13-4-1-3-11(9-13)16(18)12-5-6-14-15(10-12)20-8-2-7-19-14/h1,3-6,9-10,16H,2,7-8,18H2/p+1/t16-/m1/s1