1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)C(=O)NC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)C(=O)NC

InChI

InChI=1S/C17H24N4O5/c1-11(20-8-6-12(7-9-20)17(23)18-2)16(22)19-14-10-13(21(24)25)4-5-15(14)26-3/h4-5,10-12H,6-9H2,1-3H3,(H,18,23)(H,19,22)/p+1/t11-/m1/s1