4-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-[4-(1-cyclohex-3-enyl)-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)butane-1-sulfonate Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1CC(CC=C1)C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c17-20(18,19)13-5-4-10-16-11-8-15(9-12-16)14-6-2-1-3-7-14/h1-2,8-9,11-12,14H,3-7,10,13H2