dimethyl-[2-[[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(3S)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[(3S)-1-(5-nitropyridin-1-ium-2-yl)nipecotoyl]amino]ethyl]ammonium Formula: C15H25N5O3+2 MolecularWeight: 323.3907

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1CCCN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O3/c1-18(2)9-7-16-15(21)12-4-3-8-19(11-12)14-6-5-13(10-17-14)20(22)23/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,21)/p+2/t12-/m0/s1