N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-nitro-benzenesulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-2-15-9-3-4-12(15)10-14-21(19,20)13-7-5-11(6-8-13)16(17)18/h5-8,12,14H,2-4,9-10H2,1H3/p+1