2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole CAS Name: 2-hydroxy-2-oxoacetate; 2-methoxy-5-[2-(1-pyrrolidin-1-iumyl)ethyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole IUPAC Name: 2-hydroxy-2-oxoacetate; 2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole Traditional Name: 2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohept[b]indole binoxalate Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C2CCCCC3)CC[NH+]4CCCC4.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C2CCCCC3)CC[NH+]4CCCC4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H28N2O.C2H2O4/c1-23-16-9-10-20-18(15-16)17-7-3-2-4-8-19(17)22(20)14-13-21-11-5-6-12-21;3-1(4)2(5)6/h9-10,15H,2-8,11-14H2,1H3;(H,3,4)(H,5,6)