[4-[(1R)-1-azaniumylethyl]phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: [4-[(1R)-1-azaniumylethyl]phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: [4-[(1R)-1-azaniumylethyl]phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: [4-[(1R)-1-ammonioethyl]phenyl]-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: [4-[(1R)-1-azaniumylethyl]phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: [4-[(1R)-1-ammonioethyl]phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)[N-]C2=CC=C(C=C2)C(C)[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)[N-]C2=CC=C(C=C2)[C@@H](C)[NH3+]

InChI

InChI=1S/C14H22N3O2S/c1-11-4-3-9-17(10-11)20(18,19)16-14-7-5-13(6-8-14)12(2)15/h5-8,11-12H,3-4,9-10,15H2,1-2H3/q-1/p+2/t11-,12+/m0/s1