N'-methyl-N-(3-nitropyridin-1-ium-2-yl)-N'-phenyl-ethane-1,2-diamine

Systemtic Name: N'-methyl-N-(3-nitropyridin-1-ium-2-yl)-N'-phenyl-ethane-1,2-diamine Openeye Name: N'-methyl-N-(3-nitropyridin-1-ium-2-yl)-N'-phenyl-ethane-1,2-diamine CAS Name: N'-methyl-N-(3-nitro-2-pyridin-1-iumyl)-N'-phenylethane-1,2-diamine IUPAC Name: N'-methyl-N-(3-nitropyridin-1-ium-2-yl)-N'-phenylethane-1,2-diamine Traditional Name: methyl-[2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-phenyl-amine Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC1=C(C=CC=[NH+]1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCNC1=C(C=CC=[NH+]1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H16N4O2/c1-17(12-6-3-2-4-7-12)11-10-16-14-13(18(19)20)8-5-9-15-14/h2-9H,10-11H2,1H3,(H,15,16)/p+1