N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(2,5-dimethylphenoxy)ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-(2,5-dimethylphenoxy)ethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-11-3-4-12(2)14(9-11)21-8-7-16-15-6-5-13(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)/p+1