1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-11(17)16-6-4-15(5-7-16)9-12-2-3-13-14(8-12)19-10-18-13/h2-3,8H,4-7,9-10H2,1H3/p+1