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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanone Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO3/c23-21(17-9-10-18-19(15-17)25-14-13-24-18)20(16-7-3-1-4-8-16)22-11-5-2-6-12-22/h1,3-4,7-10,15,20H,2,5-6,11-14H2/p+1