(3-iodanylphenyl)-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azanium

Systemtic Name: (3-iodanylphenyl)-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azanium Openeye Name: (3-iodophenyl)-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: (3-iodophenyl)-[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]ammonium IUPAC Name: (3-iodophenyl)-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium Traditional Name: (3-iodophenyl)-[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]ammonium Formula: C13H18IN2O+ MolecularWeight: 345.19929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH2+]C2=CC(=CC=C2)I

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)[NH2+]C2=CC(=CC=C2)I

InChI

InChI=1S/C13H17IN2O/c1-10(13(17)16-7-2-3-8-16)15-12-6-4-5-11(14)9-12/h4-6,9-10,15H,2-3,7-8H2,1H3/p+1/t10-/m0/s1