[4-[(1S)-1-azaniumylethyl]phenyl]-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: [4-[(1S)-1-azaniumylethyl]phenyl]-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: [4-[(1S)-1-azaniumylethyl]phenyl]-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: [4-[(1S)-1-ammonioethyl]phenyl]-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: [4-[(1S)-1-azaniumylethyl]phenyl]-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: [4-[(1S)-1-ammonioethyl]phenyl]-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N3O2S/c1-11-5-3-4-10-17(11)20(18,19)16-14-8-6-13(7-9-14)12(2)15/h6-9,11-12H,3-5,10,15H2,1-2H3/q-1/p+2/t11-,12-/m0/s1