(4-cyanophenyl)methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide

Systemtic Name: (4-cyanophenyl)methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Openeye Name: (4-cyanophenyl)methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide CAS Name: (4-cyanophenyl)methylsulfonyl-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]azanide IUPAC Name: (4-cyanophenyl)methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Traditional Name: (4-cyanobenzyl)sulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[N-]S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[N-]S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H20N3O2S/c1-2-18-9-3-4-15(18)11-17-21(19,20)12-14-7-5-13(10-16)6-8-14/h5-8,15H,2-4,9,11-12H2,1H3/q-1/p+1/t15-/m0/s1