1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone Formula: C20H30N2O3+2 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC[NH+](CC2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)C2CC[NH+](CC2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N2O3/c23-18(16-4-5-19-20(14-16)25-13-12-24-19)15-21-10-6-17(7-11-21)22-8-2-1-3-9-22/h4-5,14,17H,1-3,6-13,15H2/p+2