ethyl 1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26ClN2O5+ MolecularWeight: 385.86244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C18H25ClN2O5/c1-4-26-18(23)12-5-7-21(8-6-12)11-17(22)20-14-9-13(19)15(24-2)10-16(14)25-3/h9-10,12H,4-8,11H2,1-3H3,(H,20,22)/p+1