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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-piperonylpiperazin-1-ium-1-yl)acetic acid ethyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O4/c1-2-20-16(19)11-18-7-5-17(6-8-18)10-13-3-4-14-15(9-13)22-12-21-14/h3-4,9H,2,5-8,10-12H2,1H3/p+1