N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-nitrobenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c22-18(14-7-2-3-8-15(14)21(23)24)19-13-16(17-9-6-12-25-17)20-10-4-1-5-11-20/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H,19,22)/p+1/t16-/m1/s1