2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(1-ethyl-4-piperidin-1-iumyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[NH+]1CCC(CC1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H19N3O3/c1-2-16-7-5-12(6-8-16)15-10-11-9-13(17(19)20)3-4-14(11)18/h3-4,9-10,12,18H,2,5-8H2,1H3