(2-azaniumyl-5-chloranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (2-azaniumyl-5-chloranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (2-azaniumyl-5-chloro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (2-ammonio-5-chlorophenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (2-azaniumyl-5-chlorophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (2-ammonio-5-chloro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H19ClN3O2S+ MolecularWeight: 304.81616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=CC(=C2)Cl)[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=CC(=C2)Cl)[NH3+]

InChI

InChI=1S/C12H17ClN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7,14H2,1H3/q-1/p+2/t9-/m0/s1