sodium 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate iodide

Systemtic Name: sodium 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate iodide Openeye Name: sodium 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate iodide CAS Name: sodium 4-(2-methyl-1-quinolin-1-iumyl)-1-butanesulfonate iodide IUPAC Name: sodium 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate iodide Traditional Name: sodium 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonate iodide Formula: C14H17INNaO3S MolecularWeight: 429.24892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CCCCS(=O)(=O)[O-].[Na+].[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CCCCS(=O)(=O)[O-].[Na+].[I-]

InChI

InChI=1S/C14H17NO3S.HI.Na/c1-12-8-9-13-6-2-3-7-14(13)15(12)10-4-5-11-19(16,17)18;;/h2-3,6-9H,4-5,10-11H2,1H3;1H;/q;;+1/p-1