(E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: (E)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(5-nitro-2-furyl)acrylamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-13-5-2-3-11-18(13)12-4-10-17-15(20)8-6-14-7-9-16(23-14)19(21)22/h6-9,13H,2-5,10-12H2,1H3,(H,17,20)/p+1/b8-6+/t13-/m0/s1