1-[3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]-3,3-dimethyl-piperidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]-3,3-dimethyl-piperidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[3-(5-methoxyindan-1-yl)propyl]-3,3-dimethyl-piperidin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]-3,3-dimethylpiperidin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[3-(5-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]-3,3-dimethylpiperidin-1-ium Traditional Name: 1-[3-(5-methoxyindan-1-yl)propyl]-3,3-dimethyl-piperidin-1-ium binoxalate Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCCC2CCC3=C2C=CC(=C3)OC)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CCC[NH+](C1)CCCC2CCC3=C2C=CC(=C3)OC)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H31NO.C2H2O4/c1-20(2)11-5-13-21(15-20)12-4-6-16-7-8-17-14-18(22-3)9-10-19(16)17;3-1(4)2(5)6/h9-10,14,16H,4-8,11-13,15H2,1-3H3;(H,3,4)(H,5,6)