N-(5-methyl-2-nitro-phenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-nitro-phenyl)-2-[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]ethanamide Openeye Name: N-(5-methyl-2-nitro-phenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]acetamide CAS Name: N-(5-methyl-2-nitrophenyl)-2-[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]acetamide IUPAC Name: N-(5-methyl-2-nitrophenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide Traditional Name: N-(5-methyl-2-nitro-phenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidino]acetamide Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H22N4O4/c1-14-5-6-18(23(26)27)16(12-14)20-19(24)13-21-10-7-15(8-11-21)17-4-2-3-9-22(17)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,20,24)