3,3-dimethyl-1-[2-[3-(1-oxidanidylpyridin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-[3-(1-oxidanidylpyridin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[3-(1-oxido-2-pyridin-1-iumyl)propoxymethyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-2-yl)propoxymethyl]pyrrolidino]pentane-1,2-dione Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1COCCCC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1COCCCC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H30N2O4/c1-4-20(2,3)18(23)19(24)21-12-7-10-17(21)15-26-14-8-11-16-9-5-6-13-22(16)25/h5-6,9,13,17H,4,7-8,10-12,14-15H2,1-3H3