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

Systemtic Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Openeye Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide CAS Name: [4-(ammoniomethyl)phenyl]methylsulfonyl-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]azanide IUPAC Name: [4-(azaniumylmethyl)phenyl]methylsulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Traditional Name: [4-(ammoniomethyl)benzyl]sulfonyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanide Formula: C15H26N3O2S+ MolecularWeight: 312.45084

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[N-]S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C15H24N3O2S/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,2-4,9-12,16H2,1H3/q-1/p+2/t15-/m0/s1