4-chloranyl-3-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidyl-benzoate

Systemtic Name: 4-chloranyl-3-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidyl-benzoate Openeye Name: 4-chloro-3-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidyl-benzoate CAS Name: 4-chloro-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonylazanidyl]benzoate IUPAC Name: 4-chloro-3-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate Traditional Name: 4-chloro-3-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidyl-benzoate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-8-10(13(17)18)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)/q-1/t9-/m0/s1