methyl (2S)-3-cyclohexyl-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate

Systemtic Name: methyl (2S)-3-cyclohexyl-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate Openeye Name: methyl (2S)-3-cyclohexyl-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate CAS Name: (2S)-3-cyclohexyl-2-[(3-nitro-2-pyridin-1-iumyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-cyclohexyl-2-[(3-nitropyridin-1-ium-2-yl)amino]propanoate Traditional Name: (2S)-3-cyclohexyl-2-[(3-nitropyridin-1-ium-2-yl)amino]propionic acid methyl ester Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1CCCCC1)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4/c1-22-15(19)12(10-11-6-3-2-4-7-11)17-14-13(18(20)21)8-5-9-16-14/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,17)/p+1/t12-/m0/s1