4-[[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-3-ethyl-2-(1-pyrrolidin-1-iumyl)pentyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-ylpentyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CCC(CC)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C18H30N4O4S/c1-4-14(5-2)18(21-10-6-7-11-21)13-20-16-9-8-15(27(25,26)19-3)12-17(16)22(23)24/h8-9,12,14,18-20H,4-7,10-11,13H2,1-3H3/p+1/t18-/m0/s1