ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)acetic acid ethyl ester Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O5/c1-2-21-16(20)15(19)18-7-5-17(6-8-18)10-12-3-4-13-14(9-12)23-11-22-13/h3-4,9H,2,5-8,10-11H2,1H3/p+1