ethyl (3S)-1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26ClN2O5+ MolecularWeight: 385.86244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C18H25ClN2O5/c1-4-26-18(23)12-6-5-7-21(10-12)11-17(22)20-14-8-13(19)15(24-2)9-16(14)25-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,22)/p+1/t12-/m0/s1