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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClN2O4S/c1-9-3-2-6-16(8-9)21(19,20)15-12-7-10(13(17)18)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)/q-1/t9-/m0/s1