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

Systemtic Name: ethyl 1-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]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)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H25N3O6/c1-4-27-18(23)13-5-7-20(8-6-13)11-17(22)19-14-10-16(26-3)15(21(24)25)9-12(14)2/h9-10,13H,4-8,11H2,1-3H3,(H,19,22)/p+1