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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN2O2S/c1-10-5-6-13(12(14)8-10)15-19(17,18)16-7-3-4-11(2)9-16/h5-6,8,11H,3-4,7,9H2,1-2H3/q-1/p+1/t11-/m0/s1