N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-pyridin-4-amine

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-pyridin-4-amine Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitro-pyridin-4-amine CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-nitro-4-pyridinamine IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-nitropyridin-4-amine Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-(3-nitro-4-pyridyl)amine Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C(C=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C(C=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O2/c1-12-5-2-3-9-17(12)10-4-7-16-13-6-8-15-11-14(13)18(19)20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,15,16)/p+1/t12-/m0/s1