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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(3-methylphenoxy)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-(3-methylphenoxy)ethyl-(3-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=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

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