[3-(azaniumylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: [3-(azaniumylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: [3-(azaniumylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: [3-(ammoniomethyl)phenyl]-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: [3-(azaniumylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: [3-(ammoniomethyl)phenyl]-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N3O2S/c1-11-4-3-7-16(10-11)19(17,18)15-13-6-2-5-12(8-13)9-14/h2,5-6,8,11H,3-4,7,9-10,14H2,1H3/q-1/p+2/t11-/m0/s1