2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzonitrile Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c19-12-14-11-15(22(23)24)6-7-16(14)20-13-17(18-5-4-10-25-18)21-8-2-1-3-9-21/h4-7,10-11,17,20H,1-3,8-9,13H2/p+1/t17-/m0/s1