potassium 4-iodanyl-1-methyl-3-(2-methylpropyl)-5-(3-propylphenyl)pyridin-1-ium sulfate

Systemtic Name: potassium 4-iodanyl-1-methyl-3-(2-methylpropyl)-5-(3-propylphenyl)pyridin-1-ium sulfate Openeye Name: potassium 4-iodo-3-isobutyl-1-methyl-5-(3-propylphenyl)pyridin-1-ium sulfate CAS Name: potassium 4-iodo-1-methyl-3-(2-methylpropyl)-5-(3-propylphenyl)pyridin-1-ium sulfate IUPAC Name: potassium 4-iodo-1-methyl-3-(2-methylpropyl)-5-(3-propylphenyl)pyridin-1-ium sulfate Traditional Name: potassium 4-iodo-3-isobutyl-1-methyl-5-(3-propylphenyl)pyridin-1-ium sulfate Formula: C19H25IKNO4S MolecularWeight: 529.47387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25IN.K.H2O4S/c1-5-7-15-8-6-9-16(11-15)18-13-21(4)12-17(19(18)20)10-14(2)3;;1-5(2,3)4/h6,8-9,11-14H,5,7,10H2,1-4H3;;(H2,1,2,3,4)/q2*+1;/p-2