N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-3-16-8-4-5-11(16)10-15-13-7-6-12(22(2,20)21)9-14(13)17(18)19/h6-7,9,11,15H,3-5,8,10H2,1-2H3/p+1/t11-/m1/s1