5-(2-chloranyl-4-nitro-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide

Systemtic Name: 5-(2-chloranyl-4-nitro-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide Openeye Name: 5-(2-chloro-4-nitro-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide CAS Name: 5-(2-chloro-4-nitrophenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-furancarboxamide IUPAC Name: 5-(2-chloro-4-nitrophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]furan-2-carboxamide Traditional Name: 5-(2-chloro-4-nitro-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-furamide Formula: C20H25ClN3O4+ MolecularWeight: 406.8832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H24ClN3O4/c1-14-5-2-3-11-23(14)12-4-10-22-20(25)19-9-8-18(28-19)16-7-6-15(24(26)27)13-17(16)21/h6-9,13-14H,2-5,10-12H2,1H3,(H,22,25)/p+1/t14-/m0/s1