1-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

InChI

InChI=1S/C18H19N3O3/c22-15(14-4-5-16-17(11-14)24-13-23-16)12-20-7-9-21(10-8-20)18-3-1-2-6-19-18/h1-6,11H,7-10,12-13H2/p+1