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

Systemtic Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-methoxy-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazono]-5-methoxy-indole-2-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]hydrazinylidene]-5-methoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-methoxyindole-2-carboxylate Traditional Name: 5-methoxy-3-[(4-piperonylpiperazin-4-ium-1-yl)hydrazono]indole-2-carboxylic acid ethyl ester Formula: C24H28N5O5+ MolecularWeight: 466.50962

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O5/c1-3-32-24(30)23-22(18-13-17(31-2)5-6-19(18)25-23)26-27-29-10-8-28(9-11-29)14-16-4-7-20-21(12-16)34-15-33-20/h4-7,12-13,27H,3,8-11,14-15H2,1-2H3/p+1