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

Systemtic Name: N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1S)-1-(m-tolyl)ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: [(1S)-1-(m-tolyl)ethyl]-(5-nitropyridin-1-ium-2-yl)amine Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)NC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](C)NC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O2/c1-10-4-3-5-12(8-10)11(2)16-14-7-6-13(9-15-14)17(18)19/h3-9,11H,1-2H3,(H,15,16)/p+1/t11-/m0/s1