9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]carbazole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]carbazole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]carbazole; 2-hydroxy-2-oxo-acetate CAS Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]carbazole; 2-hydroxy-2-oxoacetate IUPAC Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]carbazole; 2-hydroxy-2-oxoacetate Traditional Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]carbazole binoxalate Formula: C30H33N3O7 MolecularWeight: 547.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C6=CC=CC=C61.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C6=CC=CC=C61.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C28H31N3O3.C2H2O4/c1-3-31-24-7-5-4-6-22(24)23-14-20(8-9-25(23)31)17-29-10-12-30(13-11-29)18-21-15-26(32-2)28-27(16-21)33-19-34-28;3-1(4)2(5)6/h4-9,14-16H,3,10-13,17-19H2,1-2H3;(H,3,4)(H,5,6)