(4-bromanyl-3-methyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-bromo-3-methyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-bromo-3-methylphenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-bromo-3-methylphenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-bromo-3-methyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H19BrN2O2S MolecularWeight: 347.27116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN2O2S/c1-10-9-12(6-7-13(10)14)15-19(17,18)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3/q-1/p+1/t11-/m0/s1