3-(3-bromophenyl)-4-iodanyl-1-methyl-5-phenylsulfanyl-pyridin-1-ium nitrate

Systemtic Name: 3-(3-bromophenyl)-4-iodanyl-1-methyl-5-phenylsulfanyl-pyridin-1-ium nitrate Openeye Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-phenylsulfanyl-pyridin-1-ium nitrate CAS Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-(phenylthio)pyridin-1-ium nitrate IUPAC Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-phenylsulfanylpyridin-1-ium nitrate Traditional Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-(phenylthio)pyridin-1-ium nitrate Formula: C18H14BrIN2O3S MolecularWeight: 545.18883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Br)I)SC3=CC=CC=C3.[N+](=O)([O-])[O-]

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Br)I)SC3=CC=CC=C3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C18H14BrINS.NO3/c1-21-11-16(13-6-5-7-14(19)10-13)18(20)17(12-21)22-15-8-3-2-4-9-15;2-1(3)4/h2-12H,1H3;/q+1;-1