ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-piperonylpiperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-2-19-15(18)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13/h3-4,9H,2,5-8,10-11H2,1H3/p+1