N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-piperidin-1-ium-1-ylethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl-methyl-(2-piperidin-1-ium-1-ylethyl)amine Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC[NH+]1CCCCC1)CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N4O3/c1-21(9-10-22-7-3-2-4-8-22)12-17-19-18(20-25-17)14-5-6-15-16(11-14)24-13-23-15/h5-6,11H,2-4,7-10,12-13H2,1H3/p+1