ethyl (3S)-1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26N3O6+ MolecularWeight: 380.41554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H25N3O6/c1-3-27-18(23)13-5-4-9-20(12-13)10-8-17(22)19-15-11-14(21(24)25)6-7-16(15)26-2/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1