1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidin-1-ium

Systemtic Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidin-1-ium Openeye Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidin-1-ium CAS Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidin-1-ium IUPAC Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidin-1-ium Traditional Name: 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidin-1-ium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C14H20N2O3/c1-12-5-6-13(16(17)18)14(11-12)19-10-9-15-7-3-2-4-8-15/h5-6,11H,2-4,7-10H2,1H3/p+1