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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]methanone Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c24-21(17-3-6-19-20(13-17)28-12-11-27-19)16-7-9-22(10-8-16)14-15-1-4-18(5-2-15)23(25)26/h1-6,13,16H,7-12,14H2/p+1