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

Systemtic Name: 3,3-dimethyl-1-[2-[3-(1-oxidanidylquinolin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-[3-(1-oxidoquinolin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[3-(1-oxido-2-quinolin-1-iumyl)propoxymethyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[3-(1-oxidoquinolin-1-ium-2-yl)propoxymethyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-[3-(1-oxidoquinolin-1-ium-2-yl)propoxymethyl]pyrrolidino]pentane-1,2-dione Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1COCCCC2=[N+](C3=CC=CC=C3C=C2)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1COCCCC2=[N+](C3=CC=CC=C3C=C2)[O-]

InChI

InChI=1S/C24H32N2O4/c1-4-24(2,3)22(27)23(28)25-15-7-10-20(25)17-30-16-8-11-19-14-13-18-9-5-6-12-21(18)26(19)29/h5-6,9,12-14,20H,4,7-8,10-11,15-17H2,1-3H3