(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: (3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: (4-hydroxy-3-iodo-5-methoxy-phenyl)methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: (4-hydroxy-3-iodo-5-methoxyphenyl)methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: (4-hydroxy-3-iodo-5-methoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: (4-hydroxy-3-iodo-5-methoxy-benzyl)-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C16H20IN2O2+ MolecularWeight: 399.24667

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)I)O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)I)O)OC

InChI

InChI=1S/C16H19IN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3/p+1