2,3-dihydro-1,4-benzodioxin-6-yl-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

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