ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-fluoranyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-fluoranyl-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazono]-5-fluoro-indole-2-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]hydrazinylidene]-5-fluoro-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-fluoroindole-2-carboxylate Traditional Name: 5-fluoro-3-[(4-piperonylpiperazin-4-ium-1-yl)hydrazono]indole-2-carboxylic acid ethyl ester Formula: C23H25FN5O4+ MolecularWeight: 454.474103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C1=NNN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=NC2=C(C1=NNN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C=C(C=C2)F

InChI

InChI=1S/C23H24FN5O4/c1-2-31-23(30)22-21(17-12-16(24)4-5-18(17)25-22)26-27-29-9-7-28(8-10-29)13-15-3-6-19-20(11-15)33-14-32-19/h3-6,11-12,27H,2,7-10,13-14H2,1H3/p+1