4-iodanyl-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate

Systemtic Name: 4-iodanyl-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate Openeye Name: 4-iodo-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate CAS Name: 4-iodo-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate IUPAC Name: 4-iodo-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate Traditional Name: 4-iodo-1,3-dimethyl-5-(3-propylphenyl)pyridin-1-ium phosphate Formula: C16H19INO4P-2 MolecularWeight: 447.204591

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C2=C[N+](=CC(=C2I)C)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCC1=CC=CC(=C1)C2=C[N+](=CC(=C2I)C)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H19IN.H3O4P/c1-4-6-13-7-5-8-14(9-13)15-11-18(3)10-12(2)16(15)17;1-5(2,3)4/h5,7-11H,4,6H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3