N-[2-(3-methylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(3-methylphenoxy)ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(3-methylphenoxy)ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-(3-methylphenoxy)ethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-11-3-2-4-13(9-11)20-8-7-15-14-6-5-12(10-16-14)17(18)19/h2-6,9-10H,7-8H2,1H3,(H,15,16)/p+1