(4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-bromophenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-bromophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H17BrN2O2S MolecularWeight: 333.24458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN2O2S/c1-10-3-2-8-15(9-10)18(16,17)14-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3/q-1/p+1/t10-/m0/s1