2-[1-[1,2-bis(oxidanidyl)-2H-pyrrol-1-ium-5-yl]ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylate

Systemtic Name: 2-[1-[1,2-bis(oxidanidyl)-2H-pyrrol-1-ium-5-yl]ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylate Openeye Name: 2-[1-(1,2-dioxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylate CAS Name: 2-[1-(1,2-dioxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-2-pyrrolidinecarboxylate IUPAC Name: 2-[1-(1,2-dioxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propylpyrrolidine-2-carboxylate Traditional Name: 2-[1-(1,2-dioxido-2H-pyrrol-1-ium-5-yl)ethyl]-3-phenyl-1-propyl-pyrrolidine-2-carboxylate Formula: C20H24N2O4-2 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C1(C(C)C2=[N+](C(C=C2)[O-])[O-])C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(C1(C(C)C2=[N+](C(C=C2)[O-])[O-])C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H25N2O4/c1-3-12-21-13-11-16(15-7-5-4-6-8-15)20(21,19(24)25)14(2)17-9-10-18(23)22(17)26/h4-10,14,16,18H,3,11-13H2,1-2H3,(H,24,25)/q-1/p-1