2-[(E)-[(1S,3aS,5S,7aR)-7a-methyl-3a-oxidanyl-5-(phenylmethyl)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methylideneamino]oxyethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[(E)-[(1S,3aS,5S,7aR)-7a-methyl-3a-oxidanyl-5-(phenylmethyl)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methylideneamino]oxyethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[(E)-[(1S,3aS,5S,7aR)-5-benzyl-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methyleneamino]oxyethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[(E)-[(1S,3aS,5S,7aR)-3a-hydroxy-7a-methyl-5-(phenylmethyl)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methylideneamino]oxyethyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[(E)-[(1S,3aS,5S,7aR)-5-benzyl-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methylideneamino]oxyethyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[(E)-[(1S,3aS,5S,7aR)-5-benzyl-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methyleneamino]oxyethyl-dimethyl-ammonium binoxalate Formula: C24H36N2O6 MolecularWeight: 448.55244

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1(CCC2C=NOCC[NH+](C)C)O)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[C@]12CC[C@H](C[C@]1(CC[C@@H]2/C=N/OCC[NH+](C)C)O)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H34N2O2.C2H2O4/c1-21-11-9-19(15-18-7-5-4-6-8-18)16-22(21,25)12-10-20(21)17-23-26-14-13-24(2)3;3-1(4)2(5)6/h4-8,17,19-20,25H,9-16H2,1-3H3;(H,3,4)(H,5,6)/b23-17+;/t19-,20+,21+,22-;/m0./s1