4-(1,3-benzodioxol-5-yloxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(1,3-benzodioxol-5-yloxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCOC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCOC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O4/c18-15(17-7-5-16-6-8-17)2-1-9-19-12-3-4-13-14(10-12)21-11-20-13/h3-4,10,16H,1-2,5-9,11H2/p+1