1-[3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ium-1-yl-propyl]pyrrolidin-1-ium

Systemtic Name: 1-[3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ium-1-yl-propyl]pyrrolidin-1-ium Openeye Name: 1-[3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ium-1-yl-propyl]pyrrolidin-1-ium CAS Name: 1-[3-(4-nitrophenyl)sulfonyl-2-(1-pyrrolidin-1-iumyl)propyl]pyrrolidin-1-ium IUPAC Name: 1-[3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ium-1-ylpropyl]pyrrolidin-1-ium Traditional Name: 1-(3-nosyl-2-pyrrolidin-1-ium-1-yl-propyl)pyrrolidin-1-ium Formula: C17H27N3O4S+2 MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

C1CC[NH+](C1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O4S/c21-20(22)15-5-7-17(8-6-15)25(23,24)14-16(19-11-3-4-12-19)13-18-9-1-2-10-18/h5-8,16H,1-4,9-14H2/p+2