N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-pyridin-2-amine Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-pyridin-2-amine CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-nitro-2-pyridinamine IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-nitropyridin-2-amine Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-(5-nitro-2-pyridyl)amine Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H20N4O3/c21-20(22)13-6-7-16(17-11-13)18-12-14(15-5-4-10-23-15)19-8-2-1-3-9-19/h4-7,10-11,14H,1-3,8-9,12H2,(H,17,18)/p+1/t14-/m0/s1