2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethylpiperidin-1-ium-4-yl)methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethylpiperidin-1-ium-4-yl)methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethylpiperidin-1-ium-4-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethyl-4-piperidin-1-iumyl)methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethylpiperidin-1-ium-4-yl)methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(1-phenethylpiperidin-1-ium-4-yl)methanone Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c24-22(19-6-7-20-21(16-19)26-15-14-25-20)18-9-12-23(13-10-18)11-8-17-4-2-1-3-5-17/h1-7,16,18H,8-15H2/p+1