4-pyridin-1-ium-1-ylbutane-1-sulfonate

Systemtic Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonate Openeye Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonate CAS Name: 4-(1-pyridin-1-iumyl)-1-butanesulfonate IUPAC Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonate Traditional Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonate Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2