4-(2-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(2-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(2-methyl-1-pyridin-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(2-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(2-methylpyridin-1-ium-1-yl)butane-1-sulfonic acid Formula: C10H16NO3S+ MolecularWeight: 230.30394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=[N+]1CCCCS(=O)(=O)O

InChI

InChI=1S/C10H15NO3S/c1-10-6-2-3-7-11(10)8-4-5-9-15(12,13)14/h2-3,6-7H,4-5,8-9H2,1H3/p+1