3-(4-iodanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; prop-2-ynoate

Systemtic Name: 3-(4-iodanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; prop-2-ynoate Openeye Name: 3-(4-iodophenoxy)-N-methyl-3-phenyl-propan-1-amine; prop-2-ynoate CAS Name: 3-(4-iodophenoxy)-N-methyl-3-phenyl-1-propanamine; 2-propynoate IUPAC Name: 3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine; prop-2-ynoate Traditional Name: [3-(4-iodophenoxy)-3-phenyl-propyl]-methyl-amine; propiolate Formula: C19H19INO3- MolecularWeight: 436.26353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)I.C#CC(=O)[O-]

Isomeric SMILES

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)I.C#CC(=O)[O-]

InChI

InChI=1S/C16H18INO.C3H2O2/c1-18-12-11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15;1-2-3(4)5/h2-10,16,18H,11-12H2,1H3;1H,(H,4,5)/p-1