ethyl 1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26N3O6+ MolecularWeight: 380.41554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H25N3O6/c1-3-27-18(23)13-6-9-20(10-7-13)11-8-17(22)19-15-12-14(21(24)25)4-5-16(15)26-2/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,22)/p+1