(2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]piperidine-1-sulfonate

Systemtic Name: (2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]piperidine-1-sulfonate Openeye Name: (2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]piperidine-1-sulfonate CAS Name: (2S)-2-[(3-butyl-1-imidazol-1-iumyl)methyl]-1-piperidinesulfonate IUPAC Name: (2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]piperidine-1-sulfonate Traditional Name: (2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]piperidine-1-sulfonate Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCCN2S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCCN2S(=O)(=O)[O-]

InChI

InChI=1S/C13H23N3O3S/c1-2-3-7-14-9-10-15(12-14)11-13-6-4-5-8-16(13)20(17,18)19/h9-10,12-13H,2-8,11H2,1H3/t13-/m0/s1