3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indoline; 2-hydroxy-2-oxo-acetate CAS Name: 3-ethyl-3-phenyl-1-[2-(1-piperidin-1-iumyl)ethyl]-2H-indole; 2-hydroxy-2-oxoacetate IUPAC Name: 3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-2H-indole; 2-hydroxy-2-oxoacetate Traditional Name: 3-ethyl-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indoline binoxalate Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C2=CC=CC=C21)CC[NH+]3CCCCC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1(CN(C2=CC=CC=C21)CC[NH+]3CCCCC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H30N2.C2H2O4/c1-2-23(20-11-5-3-6-12-20)19-25(22-14-8-7-13-21(22)23)18-17-24-15-9-4-10-16-24;3-1(4)2(5)6/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3;(H,3,4)(H,5,6)