1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C14H18NO3+ MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO3/c16-12(9-15-6-2-1-3-7-15)11-4-5-13-14(8-11)18-10-17-13/h4-5,8H,1-3,6-7,9-10H2/p+1