(2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium

Systemtic Name: (2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium Openeye Name: (2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium CAS Name: (2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium IUPAC Name: (2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium Traditional Name: (2S)-2-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H20N2O4/c1-11-4-2-3-5-16(11)8-12-6-14(17(18)19)7-13-9-20-10-21-15(12)13/h6-7,11H,2-5,8-10H2,1H3/p+1/t11-/m0/s1