4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-[4-(phenylthio)-1-pyridin-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-[4-(phenylthio)pyridin-1-ium-1-yl]butane-1-sulfonic acid Formula: C15H18NO3S2+ MolecularWeight: 324.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCCS(=O)(=O)O

InChI

InChI=1S/C15H17NO3S2/c17-21(18,19)13-5-4-10-16-11-8-15(9-12-16)20-14-6-2-1-3-7-14/h1-3,6-9,11-12H,4-5,10,13H2/p+1