(2S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-ethyl-piperidin-1-ium

Systemtic Name: (2S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-ethyl-piperidin-1-ium Openeye Name: (2S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-ethylpiperidin-1-ium IUPAC Name: (2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-ethylpiperidin-1-ium Traditional Name: (2S)-1-(4,5-dimethoxy-2-nitro-benzyl)-2-ethyl-piperidin-1-ium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-4-13-7-5-6-8-17(13)11-12-9-15(21-2)16(22-3)10-14(12)18(19)20/h9-10,13H,4-8,11H2,1-3H3/p+1/t13-/m0/s1