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

Systemtic Name: 3,3-dimethyl-1-[2-[3-(1-oxidanidylpyridin-1-ium-3-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-3-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[3-(1-oxido-3-pyridin-1-iumyl)propoxymethyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-3-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[3-(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C2)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1COCCCC2=C[N+](=CC=C2)[O-]

InChI

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